7-Amino-4-(trifluoromethyl)coumarin
TL;DR: 7-Amino-4-(trifluoromethyl)coumarin (CAS 53518-15-3) is a chemical compound with molecular formula C10H6F3NO2 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-4-(trifluoromethyl)chromen-2-one
Also Known As: Coumarin 151, 7-Amino-4-(trifluoromethyl)coumarin, 7-Amino-4-trifluoromethylcoumarin, 7-Amino-4-(trifluoromethyl)-2H-chromen-2-one, 7-amino-4-(trifluoromethyl)chromen-2-one
| Molecular Formula | C10H6F3NO2 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.03506 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 53518-15-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F |
| InChIKey | JBNOVHJXQSHGRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Amino-4-(trifluoromethyl)coumarin (CAS 53518-15-3), with molecular formula C10H6F3NO2 and molecular weight 229.04 g/mol. IUPAC: 7-amino-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of 7-Amino-4-(trifluoromethyl)coumarin
Property Insights of 7-Amino-4-(trifluoromethyl)coumarin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Amino-4-(trifluoromethyl)coumarin. With a topological polar surface area (TPSA) of 52.3 Ų, 7-Amino-4-(trifluoromethyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Amino-4-(trifluoromethyl)coumarin has 1 hydrogen bond donor(s) and 6 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 7-Amino-4-(trifluoromethyl)coumarin?
The CAS number of 7-Amino-4-(trifluoromethyl)coumarin is 53518-15-3.
What is the molecular formula of 7-Amino-4-(trifluoromethyl)coumarin?
The molecular formula of 7-Amino-4-(trifluoromethyl)coumarin is C10H6F3NO2.
What is the molecular weight of 7-Amino-4-(trifluoromethyl)coumarin?
The molecular weight of 7-Amino-4-(trifluoromethyl)coumarin is 229.04 g/mol.
Where can I buy 7-Amino-4-(trifluoromethyl)coumarin?
You can request a quote for 7-Amino-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 7-Amino-4-(trifluoromethyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Amino-4-(trifluoromethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.