trans-Stilbene Oxide - ≥98%(HPLC) , CAS No.1439-07-2

CAS: 1439-07-2 Cat. No.: T162024 Molecular Weight: 196.25 Beilstein Registry Number: 82740 EC Number: 215-877-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS015913976 | AS-44238 | NSC100317 | NSC-100317 | NSC 40295 | (R,R)-stilbene oxide | EN300-1165965 | ATORVASTATIN [INN] | trans-2,3-Diphenylethylene Oxide | Heptivir | rel-(2R,3S)-2,3-Diphenyloxirane | (2R,3R)-stilbene oxide | MFCD00064311 | trans-1,2-D

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Do not expose undiluted or large quantities of products to groundwater, waterways or sewage systems, avoid oxides to keep the reservoir sealed, store in a cool, dry place, and ensure a good ventilation or exhaust system in the workplace.

Specifications

Synonyms

AKOS015913976 | AS-44238 | NSC100317 | NSC-100317 | NSC 40295 | (R, R)-stilbene oxide | EN300-1165965 | ATORVASTATIN [INN] | trans-2, 3-Diphenylethylene Oxide | Heptivir | rel-(2R, 3S)-2, 3-Diphenyloxirane | (2R, 3R)-stilbene oxide | MFCD00064311 | trans-1, 2-D

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488188541
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188541
• Canonical Smiles: C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3
• IUPAC Name: (2R,3R)-2,3-diphenyloxirane
• InChIKey: ARCJQKUWGAZPFX-ZIAGYGMSSA-N
• INCHI: 1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O2)C3=CC=CC=C3
• WGK Germany: 3
• RTECS: DT4391500
• Molecular Weight: 196.25
• Beilstein: 82740
• Reaxy-Rn: 136650
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136650&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzene and substituted derivatives Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Benzenoid - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: trans-stilbene oxide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GSTM1 Tbio Glutathione S-transferase Mu 1 (61 Activities)

Discover Target: GSTM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Air sensitive
• Melt Point(°C): 68 °C
• Molecular Weight: 196.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.089 Da
• Monoisotopic Mass: 196.089 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yi-Lun Yan, Dong Guo, Jia-Lin Wu, Xi-Hao Tang, Jia-Jun Luo, Shu-Qing Li, Jun Fan, Sheng-Run Zheng, Wei-Guang Zhang, Song-Liang Cai.  (2022)  Fabrication of cellulose derivative coated spherical covalent organic frameworks as chiral stationary phases for high-performance liquid chromatographic enantioseparation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35635867] [10.1016/j.chroma.2022.463155]

2. Mingxian Huang, Hongyan Ma, Mengna Niu, Fei Hu, Shige Wang, Lulu Li, Chunguang Lv.  (2017)  Preparation of silica microspheres with a broad pore size distribution and their use as the support for a coated cellulose derivative chiral stationary phase.  JOURNAL OF SEPARATION SCIENCE,  41  (6): (1232-1239).  [PMID:29211344] [10.1002/jssc.201701215]

3. Han Yang, Fu-Chang Liang, Bo Tang, Hai-Xiong Chen, Si-Yun Fu, Song-Liang Cai, Wei-Guang Zhang, Jun Fan, Sheng-Run Zheng.  (2025)  Preparation of a metal‒organic framework glass‒based chiral stationary phase for HPLC enantiomer separation.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2025.125252]

4. Zixing Wang, Yuxin Fan, Hong Chen, Xiang Chen, Dexuan Cai, Xihao Tang, Shengrun Zheng, Jun Fan, Songliang Cai, Weiguang Zhang.  (2025)  Preparation and resolution performances of chiral stationary phases based on spherical covalent organic frameworks with various zeta potentials.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40435717] [10.1016/j.chroma.2025.466087]