7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin
TL;DR: 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin (CAS 55804-70-1) is a chemical compound with molecular formula C13H12F3NO2 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one
Also Known As: Coumarin 307, Coumarin307, Coumarin 503, starbld0016866, 3-(Methylseleno)alanine
| Molecular Formula | C13H12F3NO2 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.082 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 55804-70-1 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)C(=CC(=O)O2)C(F)(F)F |
| InChIKey | NRZJOTSUPLCYDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin (CAS 55804-70-1), with molecular formula C13H12F3NO2 and molecular weight 271.08 g/mol. IUPAC: 7-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin
Property Insights of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin
The XLogP value of 3.1 indicates that 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Ethylamino)-6-methyl-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-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin?
The CAS number of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin is 55804-70-1.
What is the molecular formula of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin?
The molecular formula of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin is C13H12F3NO2.
What is the molecular weight of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin?
The molecular weight of 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin is 271.08 g/mol.
Where can I buy 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin?
You can request a quote for 7-(Ethylamino)-6-methyl-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-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.