AF-399/41493302
TL;DR: AF-399/41493302 (CAS 519012-44-3) is a chemical compound with molecular formula C20H21ClN2O4S2 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AF-399/41493302, 2-{[(4-chlorophenyl)carbonyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(4-chlorobenzamido)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[(4-chlorobenzoyl)amino]-N-(1,1-dioxidotetrahydro-3-thienyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(4-chlorobenzoyl)amino]-N-(1,1-dioxidotetrahydrothien-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H21ClN2O4S2 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 3.4495 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.06314 |
| Heavy Atoms | 29 |
| Complexity | 1060.8955 |
Chemical Identifiers
| CAS Number | 519012-44-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
AF-399/41493302 (CAS 519012-44-3), with molecular formula C20H21ClN2O4S2 and molecular weight 452.06 g/mol. IUPAC: 2-[(4-chlorobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AF-399/41493302
Property Insights of AF-399/41493302
The XLogP value of 3.4495 indicates that AF-399/41493302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41493302. Following Lipinski's Rule of Five, AF-399/41493302 has 2 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-399/41493302?
The CAS number of AF-399/41493302 is 519012-44-3.
What is the molecular formula of AF-399/41493302?
The molecular formula of AF-399/41493302 is C20H21ClN2O4S2.
What is the molecular weight of AF-399/41493302?
The molecular weight of AF-399/41493302 is 452.06 g/mol.
Where can I buy AF-399/41493302?
You can request a quote for AF-399/41493302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41493302?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41493302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.