(4-Methyl-2-oxochromen-7-yl) furan-2-carboxylate , CAS No.87468-02-8

CAS: 87468-02-8 Cat. No.: M668456 Molecular Weight: 270.24
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Synonyms
(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate | 4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate | MLS000712758 | 2-Furancarboxylic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester | SMR000282525 | ChemDiv2_000087 | Oprea1_667731 | Oprea1_783928 | CBD
Storage
Room temperature
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Size
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1mg
M668456-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
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5mg
M668456-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate | 4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate | MLS000712758 | 2-Furancarboxylic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester | SMR000282525 | ChemDiv2_000087 | Oprea1_667731 | Oprea1_783928 | CBD
Storage
Room temperature
Product Properties
ALogP3.1
Names and Identifiers
Canonical SmilesCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3
IUPAC Name(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate
InChIKeyWVAYNWNBGPUATF-UHFFFAOYSA-N
INCHI1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
Isomeric SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3
Molecular Weight 270.24
Reaxy-Rn 4503815
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4503815&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarins and derivatives
Alternative Parents 1-benzopyrans  Furoic acid esters  Pyranones and derivatives  Benzenoids  Heteroaromatic compounds  Lactones  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - 1-benzopyran - Furoic acid ester - Furoic acid or derivatives - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
F2 Tclin Prothrombin (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F12 Tchem Coagulation factor XII (1450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
3C-like protease (101 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight270.240 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass270.053 Da
Monoisotopic Mass270.053 Da
Topological Polar Surface Area65.700 Ų
Heavy Atom Count20
Formal Charge0
Complexity442.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Kechun Chen, Bingtian Xu, Xuan Xiao, Lu Long, Qian Zhao, Zicen Fang, Xingxing Tu, Jiakang Wang, Jiangping Xu, Haitao Wang.  (2023)  Involvement of CKS1B in the anti-inflammatory effects of cannabidiol in experimental stroke models.  EXPERIMENTAL NEUROLOGY,      [PMID:38104887] [10.1016/j.expneurol.2023.114654]
2. Shi Jiachen, Ma Qiuling, Su Wenting, Liu Congyan, Zhang Huangqin, Liu Yuping, Li Xiaoqi, Jiang Xi, Ge Chang, Kong Fei, Chen Yan, Qu Ding.  (2023)  Effervescent cannabidiol solid dispersion-doped dissolving microneedles for boosted melanoma therapy via the “TRPV1-NFATc1-ATF3” pathway and tumor microenvironment engineering.  Biomaterials Research,  27  (1): (1-15).  [PMID:37198657] [10.1186/s40824-023-00390-x]
3. Qunfang Yang, Tao Liu, Haiping Zheng, Zechen Zhou, Yan Huang, Honglin Jia, Shixiang Fu, Xuan Zhang, Haigang Zhang, Ya Liu, Xiaohong Chen, Wenjun Shan.  (2022)  A nanoformulation for immunosuppression reversal and broad-spectrum self-amplifying antitumor ferroptosis-immunotherapy.  BIOMATERIALS,      [PMID:36502663] [10.1016/j.biomaterials.2022.121936]
4. Xu Bing-tian, Li Meng-fan, Chen Ke-chun, Li Xing, Cai Ning-bo, Xu Jiang-ping, Wang Hai-tao.  (2022)  Mitofusin-2 mediates cannabidiol-induced neuroprotection against cerebral ischemia in rats.  ACTA PHARMACOLOGICA SINICA,  44  (3): (499-512).  [PMID:36229600] [10.1038/s41401-022-01004-3]
5. Yongzhou Yu, Zuxiao Yang, Baohua Jin, Xia Qin, Xiaoque Zhu, Jiahui Sun, Lifang Huo, Ri Wang, Yongyun Shi, Zhanfeng Jia, Yun Stone Shi, Shifeng Chu, Dezhi Kong, Wei Zhang.  (2020)  Cannabidiol inhibits febrile seizure by modulating AMPA receptor kinetics through its interaction with the N-terminal domain of GluA1/GluA2.  PHARMACOLOGICAL RESEARCH,      [PMID:32805354] [10.1016/j.phrs.2020.105128]
6. Weize Diao, Chuangxin Zhou, Zhiheng Zhang, Yifan Cao, Yuxin Li, Junnan Tang, Guozhen Liu.  (2024)  EGaIn-Modified ePADs for Simultaneous Detection of Homocysteine and C-Reactive Protein in Saliva toward Early Diagnosis of Cardiovascular Disease.  ACS Sensors,      [PMID:39031767] [10.1021/acssensors.4c01306]
7. Xuan Zhang, Xiangzhou Yi, Xia Gao, Yongcheng Li, Xuanri Shen.  (2024)  Liver-Targeted Nanoparticles Loaded with Cannabidiol Based on Redox Response for Effective Alleviation of Acute Liver Injury.  Foods,  13  (15): (2464).  [PMID:39123655] [10.3390/foods13152464]
8. Chuangxin Zhou, Zhiheng Zhang, Yuan Gao, Weize Diao, Siyi Zou, Jun Zhu, Jiangtao Xu, Guozhen Liu.  (2025)  Formation of Covalent Ga-C Bonds on Liquid Metal Nanoparticles with Enhanced Stability and Anti-Oxidation.  Nanoscale,      [PMID:41105123] [10.1039/D5NR03476K]
9. Xuan Zhang, Xia Gao, Xiangzhou Yi, Hui Yu, Mingyang Shao, Yongcheng Li, Xuanri Shen.  (2024)  Multi-targeting inulin-based nanoparticles with cannabidiol for effective prevention of ulcerative colitis.  Materials Today Bio,      [PMID:38318477] [10.1016/j.mtbio.2024.100965]
10. Jifan Chen, Xuhua Li, Xiangyu Li, Jing Wu, Xiaoli Han, Haihua Wang, Dong Yang.  (2025)  A ratiometric molecularly imprinted electrochemical sensor based on fluorine-doped ferric oxyhydroxide nanorods for highly sensitive detection of carbendazim.  ANALYTICA CHIMICA ACTA,      [PMID:41513379] [10.1016/j.aca.2025.344854]
11. Qurat Ul Ain Haidery, Bo Han, Rashid Saeed, Chenyue Yan, Xingyuan Ma, Wenyun Zheng.  (2026)  Matrix-dependent degradation kinetics and impurity fingerprinting of cannabidiol (CBD) in polymeric and lipid preservation systems.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:] [10.1016/j.jpba.2026.117464]
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