7-Hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one , CAS No.307544-90-7

CAS: 307544-90-7 Cat. No.: H668918 Molecular Weight: 336.26 PubChem CID: 5322291
AVAILABLE TO ORDER
Synonyms
7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one | 7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one | 7-hydroxy-3-(m-tolyloxy)-2-(trifluoromethyl)-4H-chromen-4-one | C17H11F3O4 | BDBM50318637 | MFCD02333074 | AKOS000272694
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
H668918-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
H668918-5mg
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%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one | 7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one | 7-hydroxy-3-(m-tolyloxy)-2-(trifluoromethyl)-4H-chromen-4-one | C17H11F3O4 | BDBM50318637 | MFCD02333074 | AKOS000272694
Storage
Room temperature
Product Properties
ALogP4.2
Names and Identifiers
Canonical SmilesCC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F
IUPAC Name7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one
InChIKeyFTGSJTAYEJIPJK-UHFFFAOYSA-N
INCHI1S/C17H11F3O4/c1-9-3-2-4-11(7-9)23-15-14(22)12-6-5-10(21)8-13(12)24-16(15)17(18,19)20/h2-8,21H,1H3
Isomeric SMILES CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F
PubChem CID 5322291
Molecular Weight 336.26

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Not available
Direct ParentChromones
Alternative Parents Diarylethers  Phenoxy compounds  Phenol ethers  Toluenes  Pyranones and derivatives  1-hydroxy-2-unsubstituted benzenoids  Heteroaromatic compounds  Oxacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Chromone - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Toluene - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Ether - Oxacycle - Alkyl halide - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR2 Tclin Estrogen receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 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 Weight336.260 g/mol
XLogP34.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass336.061 Da
Monoisotopic Mass336.061 Da
Topological Polar Surface Area55.800 Ų
Heavy Atom Count24
Formal Charge0
Complexity528.000
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
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.