AF-399/41899826
TL;DR: AF-399/41899826 (CAS 618078-91-4) is a chemical compound with molecular formula C20H20Cl2N2O4S2 and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AF-399/41899826, 2-[(2,4-dichlorobenzoyl)amino]-N-(1,1-dioxidotetrahydro-3-thienyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2,4-dichlorobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2,4-Dichlorobenzamido)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-{[(2,4-dichlorophenyl)carbonyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H20Cl2N2O4S2 |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | 4.1029 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.02417 |
| Heavy Atoms | 30 |
| Complexity | 1128.0665 |
Chemical Identifiers
| CAS Number | 618078-91-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
AF-399/41899826 (CAS 618078-91-4), with molecular formula C20H20Cl2N2O4S2 and molecular weight 486.02 g/mol. IUPAC: 2-[(2,4-dichlorobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AF-399/41899826
Property Insights of AF-399/41899826
The XLogP value of 4.1029 indicates that AF-399/41899826 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-399/41899826. Following Lipinski's Rule of Five, AF-399/41899826 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-399/41899826?
The CAS number of AF-399/41899826 is 618078-91-4.
What is the molecular formula of AF-399/41899826?
The molecular formula of AF-399/41899826 is C20H20Cl2N2O4S2.
What is the molecular weight of AF-399/41899826?
The molecular weight of AF-399/41899826 is 486.02 g/mol.
Where can I buy AF-399/41899826?
You can request a quote for AF-399/41899826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899826?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.