ChemDiv1_002371
TL;DR: ChemDiv1_002371 (CAS 330158-58-2) is a chemical compound with molecular formula C18H12ClF3N2O3 and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-8-methoxychromene-3-carboxamide
Also Known As: ChemDiv1_002371, (2Z)-2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-8-methoxy-2H-chromene-3-carboxamide, 2-[2-chloro-5-(trifluoromethyl)phenyl]imino-8-methoxychromene-3-carboxamide, 2-{[2-chloro-5-(trifluoromethyl)phenyl]imino}-8-methoxy-2H-chromene-3-carboxamide
| Molecular Formula | C18H12ClF3N2O3 |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 4.4449 |
| Topological Polar Surface Area | 77.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.04886 |
| Heavy Atoms | 27 |
| Complexity | 1107.1826 |
Chemical Identifiers
| CAS Number | 330158-58-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=C2)C(=O)N |
Product Overview
ChemDiv1_002371 (CAS 330158-58-2), with molecular formula C18H12ClF3N2O3 and molecular weight 396.05 g/mol. IUPAC: 2-[2-chloro-5-(trifluoromethyl)phenyl]imino-8-methoxychromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_002371
Property Insights of ChemDiv1_002371
The XLogP value of 4.4449 indicates that ChemDiv1_002371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002371. Following Lipinski's Rule of Five, ChemDiv1_002371 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_002371?
The CAS number of ChemDiv1_002371 is 330158-58-2.
What is the molecular formula of ChemDiv1_002371?
The molecular formula of ChemDiv1_002371 is C18H12ClF3N2O3.
What is the molecular weight of ChemDiv1_002371?
The molecular weight of ChemDiv1_002371 is 396.05 g/mol.
Where can I buy ChemDiv1_002371?
You can request a quote for ChemDiv1_002371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002371?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.