AF-399/42796724
TL;DR: AF-399/42796724 (CAS 720671-57-8) is a chemical compound with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Also Known As: AF-399/42796724, N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide, N-(5-(3-chlorobenzyl)thiazol-2-yl)-3-methyl-1-oxoisochroman-3-carboxamide, N-{5-[(3-CHLOROPHENYL)METHYL]-1,3-THIAZOL-2-YL}-3-METHYL-1-OXO-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-CARBOXAMIDE
| Molecular Formula | C21H17ClN2O3S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 4.4976 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.06485 |
| Heavy Atoms | 28 |
| Complexity | 1065.0641 |
Chemical Identifiers
| CAS Number | 720671-57-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)Cl |
Product Overview
AF-399/42796724 (CAS 720671-57-8), with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol. IUPAC: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of AF-399/42796724
Property Insights of AF-399/42796724
The XLogP value of 4.4976 indicates that AF-399/42796724 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42796724. Following Lipinski's Rule of Five, AF-399/42796724 has 1 hydrogen bond donor(s) and 5 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 AF-399/42796724?
The CAS number of AF-399/42796724 is 720671-57-8.
What is the molecular formula of AF-399/42796724?
The molecular formula of AF-399/42796724 is C21H17ClN2O3S.
What is the molecular weight of AF-399/42796724?
The molecular weight of AF-399/42796724 is 412.06 g/mol.
Where can I buy AF-399/42796724?
You can request a quote for AF-399/42796724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42796724?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42796724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.