7-(Phenylacetamido)-4-(trifluoromethyl)coumarin
TL;DR: 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin (CAS 104145-35-9) is a chemical compound with molecular formula C18H12F3NO3 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-2-phenylacetamide
Also Known As: N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-2-phenylacetamide, 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin, N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-2-phenylacetamide, Benzeneacetamide,N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-, N-(2-Oxo-4-(trifluoromethyl)-2H-chromen-7-yl)-2-phenylacetamide
| Molecular Formula | C18H12F3NO3 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.07693 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 104145-35-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F |
| InChIKey | ADAVFBLYCHWWTK-UHFFFAOYSA-N |
Product Overview
7-(Phenylacetamido)-4-(trifluoromethyl)coumarin (CAS 104145-35-9), with molecular formula C18H12F3NO3 and molecular weight 347.08 g/mol. IUPAC: N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-2-phenylacetamide.
Chemical Property Profile of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin
Property Insights of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin
The XLogP value of 3.1 indicates that 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Phenylacetamido)-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-(Phenylacetamido)-4-(trifluoromethyl)coumarin?
The CAS number of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin is 104145-35-9.
What is the molecular formula of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin?
The molecular formula of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin is C18H12F3NO3.
What is the molecular weight of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin?
The molecular weight of 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin is 347.08 g/mol.
Where can I buy 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin?
You can request a quote for 7-(Phenylacetamido)-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-(Phenylacetamido)-4-(trifluoromethyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-(Phenylacetamido)-4-(trifluoromethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.