AF-399/42217575
TL;DR: AF-399/42217575 (CAS 620578-41-8) is a chemical compound with molecular formula C22H22ClNO4S and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
Also Known As: AF-399/42217575, N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide, N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide, N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
| Molecular Formula | C22H22ClNO4S |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 4.53254 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.0958 |
| Heavy Atoms | 29 |
| Complexity | 1198.7427 |
Chemical Identifiers
| CAS Number | 620578-41-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=CC(=CC=C3)Cl)C4CCS(=O)(=O)C4 |
Product Overview
AF-399/42217575 (CAS 620578-41-8), with molecular formula C22H22ClNO4S and molecular weight 431.10 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of AF-399/42217575
Property Insights of AF-399/42217575
The XLogP value of 4.53254 indicates that AF-399/42217575 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42217575. Following Lipinski's Rule of Five, AF-399/42217575 has 0 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 AF-399/42217575?
The CAS number of AF-399/42217575 is 620578-41-8.
What is the molecular formula of AF-399/42217575?
The molecular formula of AF-399/42217575 is C22H22ClNO4S.
What is the molecular weight of AF-399/42217575?
The molecular weight of AF-399/42217575 is 431.10 g/mol.
Where can I buy AF-399/42217575?
You can request a quote for AF-399/42217575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42217575?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42217575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.