BAS 00411340
TL;DR: BAS 00411340 (CAS 415939-80-9) is a chemical compound with molecular formula C16H11ClFN3O3S3 and molecular weight 442.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-fluoro-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 00411340, BIM-0019502.P001, 3-chloro-6-fluoro-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-6-fluoro-N-((4-sulfamoylphenyl)carbamothioyl)benzo[b]thiophene-2-carboxamide, 4-[({[(3-CHLORO-6-FLUORO-1-BENZOTHIOPHEN-2-YL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-1-BENZENESULFONAMIDE
| Molecular Formula | C16H11ClFN3O3S3 |
|---|---|
| Molecular Weight | 442.96 g/mol |
| LogP | 3.468 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.9635 |
| Heavy Atoms | 27 |
| Complexity | 1160.8624 |
Chemical Identifiers
| CAS Number | 415939-80-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)N |
Product Overview
BAS 00411340 (CAS 415939-80-9), with molecular formula C16H11ClFN3O3S3 and molecular weight 442.96 g/mol. IUPAC: 3-chloro-6-fluoro-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 00411340
Property Insights of BAS 00411340
The XLogP value of 3.468 indicates that BAS 00411340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00411340. Following Lipinski's Rule of Five, BAS 00411340 has 3 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 BAS 00411340?
The CAS number of BAS 00411340 is 415939-80-9.
What is the molecular formula of BAS 00411340?
The molecular formula of BAS 00411340 is C16H11ClFN3O3S3.
What is the molecular weight of BAS 00411340?
The molecular weight of BAS 00411340 is 442.96 g/mol.
Where can I buy BAS 00411340?
You can request a quote for BAS 00411340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411340?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.