ChemDiv1_000555
TL;DR: ChemDiv1_000555 (CAS 324020-45-3) is a chemical compound with molecular formula C19H12BrF3N2O3 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetyl-6-bromo-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
Also Known As: ChemDiv1_000555, AB00124630-02, (2Z)-N-acetyl-6-bromo-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide, F0190-0190, N-acetyl-6-bromo-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
| Molecular Formula | C19H12BrF3N2O3 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 4.7228 |
| Topological Polar Surface Area | 71.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.99835 |
| Heavy Atoms | 28 |
| Complexity | 1153.1044 |
Chemical Identifiers
| CAS Number | 324020-45-3 |
|---|---|
| SMILES | CC(=O)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
ChemDiv1_000555 (CAS 324020-45-3), with molecular formula C19H12BrF3N2O3 and molecular weight 452.00 g/mol. IUPAC: N-acetyl-6-bromo-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_000555
Property Insights of ChemDiv1_000555
The XLogP value of 4.7228 indicates that ChemDiv1_000555 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_000555. Following Lipinski's Rule of Five, ChemDiv1_000555 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_000555?
The CAS number of ChemDiv1_000555 is 324020-45-3.
What is the molecular formula of ChemDiv1_000555?
The molecular formula of ChemDiv1_000555 is C19H12BrF3N2O3.
What is the molecular weight of ChemDiv1_000555?
The molecular weight of ChemDiv1_000555 is 452.00 g/mol.
Where can I buy ChemDiv1_000555?
You can request a quote for ChemDiv1_000555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.