6,7-Dihydroxy-4-(trifluoromethyl)coumarin
TL;DR: 6,7-Dihydroxy-4-(trifluoromethyl)coumarin (CAS 82747-36-2) is a chemical compound with molecular formula C10H5F3O4 and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-4-(trifluoromethyl)chromen-2-one
Also Known As: 6,7-Dihydroxy-4-(trifluoromethyl)coumarin, Antiproliferative agent-35, 6,7-dihydroxy-4-(trifluoromethyl)chromen-2-one, 6,7-dihydroxy-4-(trifluoromethyl)-2H-chromen-2-one, 6,7-Dihydroxy-4-trifluoromethylcoumarin
| Molecular Formula | C10H5F3O4 |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 2.223 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.01399 |
| Heavy Atoms | 17 |
| Complexity | 642.26666 |
Chemical Identifiers
| CAS Number | 82747-36-2 |
|---|---|
| SMILES | C1=C2C(=CC(=O)OC2=CC(=C1O)O)C(F)(F)F |
Product Overview
6,7-Dihydroxy-4-(trifluoromethyl)coumarin (CAS 82747-36-2), with molecular formula C10H5F3O4 and molecular weight 246.01 g/mol. IUPAC: 6,7-dihydroxy-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin
Property Insights of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin
The XLogP value of 2.223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydroxy-4-(trifluoromethyl)coumarin. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dihydroxy-4-(trifluoromethyl)coumarin. Following Lipinski's Rule of Five, 6,7-Dihydroxy-4-(trifluoromethyl)coumarin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin?
The CAS number of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin is 82747-36-2.
What is the molecular formula of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin?
The molecular formula of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin is C10H5F3O4.
What is the molecular weight of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin?
The molecular weight of 6,7-Dihydroxy-4-(trifluoromethyl)coumarin is 246.01 g/mol.
Where can I buy 6,7-Dihydroxy-4-(trifluoromethyl)coumarin?
You can request a quote for 6,7-Dihydroxy-4-(trifluoromethyl)coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydroxy-4-(trifluoromethyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydroxy-4-(trifluoromethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.