AF-399/40850653
TL;DR: AF-399/40850653 (CAS 496022-17-4) is a chemical compound with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: AF-399/40850653, 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid, 2-[(4-chlorophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-[(4-chlorophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene -3-carboxylic acid
| Molecular Formula | C17H16ClNO3S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 4.4768 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.05396 |
| Heavy Atoms | 23 |
| Complexity | 766.8908 |
Chemical Identifiers
| CAS Number | 496022-17-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AF-399/40850653 (CAS 496022-17-4), with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol. IUPAC: 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of AF-399/40850653
Property Insights of AF-399/40850653
The XLogP value of 4.4768 indicates that AF-399/40850653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40850653. Following Lipinski's Rule of Five, AF-399/40850653 has 2 hydrogen bond donor(s) and 3 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-399/40850653?
The CAS number of AF-399/40850653 is 496022-17-4.
What is the molecular formula of AF-399/40850653?
The molecular formula of AF-399/40850653 is C17H16ClNO3S.
What is the molecular weight of AF-399/40850653?
The molecular weight of AF-399/40850653 is 349.05 g/mol.
Where can I buy AF-399/40850653?
You can request a quote for AF-399/40850653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850653?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.