ChemDiv1_002457
TL;DR: ChemDiv1_002457 (CAS 330158-33-3) is a chemical compound with molecular formula C19H12ClF3N2O3 and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetyl-6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
Also Known As: ChemDiv1_002457, N-acetyl-6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide, (2Z)-N-acetyl-6-chloro-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide, N~3~-ACETYL-6-CHLORO-2-{[3-(TRIFLUOROMETHYL)PHENYL]IMINO}-2H-CHROMENE-3-CARBOXAMIDE
| Molecular Formula | C19H12ClF3N2O3 |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 4.6137 |
| Topological Polar Surface Area | 71.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.04886 |
| Heavy Atoms | 28 |
| Complexity | 1153.1044 |
Chemical Identifiers
| CAS Number | 330158-33-3 |
|---|---|
| SMILES | CC(=O)NC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
ChemDiv1_002457 (CAS 330158-33-3), with molecular formula C19H12ClF3N2O3 and molecular weight 408.05 g/mol. IUPAC: N-acetyl-6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_002457
Property Insights of ChemDiv1_002457
The XLogP value of 4.6137 indicates that ChemDiv1_002457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002457. Following Lipinski's Rule of Five, ChemDiv1_002457 has 1 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 ChemDiv1_002457?
The CAS number of ChemDiv1_002457 is 330158-33-3.
What is the molecular formula of ChemDiv1_002457?
The molecular formula of ChemDiv1_002457 is C19H12ClF3N2O3.
What is the molecular weight of ChemDiv1_002457?
The molecular weight of ChemDiv1_002457 is 408.05 g/mol.
Where can I buy ChemDiv1_002457?
You can request a quote for ChemDiv1_002457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002457?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.