6,7-Diethoxy-4-(trifluoromethyl)coumarin
TL;DR: 6,7-Diethoxy-4-(trifluoromethyl)coumarin (CAS 351002-66-9) is a chemical compound with molecular formula C14H13F3O4 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-diethoxy-4-(trifluoromethyl)chromen-2-one
Also Known As: 6,7-Diethoxy-4-(trifluoromethyl)coumarin, TPyPA, 6,7-Diethoxy-4- coumarin, 6,7-Diethoxy-4-(trifluoromethyl)-2H-chromen-2-one, 6,7-diethoxy-4-(trifluoromethyl)chromen-2-one
| Molecular Formula | C14H13F3O4 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0766 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 351002-66-9 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)C(=CC(=O)O2)C(F)(F)F)OCC |
| InChIKey | BLGQQAWSNWKPDA-UHFFFAOYSA-N |
Product Overview
6,7-Diethoxy-4-(trifluoromethyl)coumarin (CAS 351002-66-9), with molecular formula C14H13F3O4 and molecular weight 302.08 g/mol. IUPAC: 6,7-diethoxy-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of 6,7-Diethoxy-4-(trifluoromethyl)coumarin
Property Insights of 6,7-Diethoxy-4-(trifluoromethyl)coumarin
The XLogP value of 3.0 indicates that 6,7-Diethoxy-4-(trifluoromethyl)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 6,7-Diethoxy-4-(trifluoromethyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Diethoxy-4-(trifluoromethyl)coumarin has 0 hydrogen bond donor(s) and 7 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-Diethoxy-4-(trifluoromethyl)coumarin?
The CAS number of 6,7-Diethoxy-4-(trifluoromethyl)coumarin is 351002-66-9.
What is the molecular formula of 6,7-Diethoxy-4-(trifluoromethyl)coumarin?
The molecular formula of 6,7-Diethoxy-4-(trifluoromethyl)coumarin is C14H13F3O4.
What is the molecular weight of 6,7-Diethoxy-4-(trifluoromethyl)coumarin?
The molecular weight of 6,7-Diethoxy-4-(trifluoromethyl)coumarin is 302.08 g/mol.
Where can I buy 6,7-Diethoxy-4-(trifluoromethyl)coumarin?
You can request a quote for 6,7-Diethoxy-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-Diethoxy-4-(trifluoromethyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Diethoxy-4-(trifluoromethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.