BAS 00584479
TL;DR: BAS 00584479 (CAS 331760-66-8) is a chemical compound with molecular formula C18H16ClNO4S and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chlorobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: BAS 00584479, AH-262/36606014, ethyl 2-(2-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-(2-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[(2-chlorophenyl)carbonyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H16ClNO4S |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 4.3495 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.04886 |
| Heavy Atoms | 25 |
| Complexity | 858.7561 |
Chemical Identifiers
| CAS Number | 331760-66-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 00584479 (CAS 331760-66-8), with molecular formula C18H16ClNO4S and molecular weight 377.05 g/mol. IUPAC: ethyl 2-[(2-chlorobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00584479
Property Insights of BAS 00584479
The XLogP value of 4.3495 indicates that BAS 00584479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00584479. Following Lipinski's Rule of Five, BAS 00584479 has 1 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 00584479?
The CAS number of BAS 00584479 is 331760-66-8.
What is the molecular formula of BAS 00584479?
The molecular formula of BAS 00584479 is C18H16ClNO4S.
What is the molecular weight of BAS 00584479?
The molecular weight of BAS 00584479 is 377.05 g/mol.
Where can I buy BAS 00584479?
You can request a quote for BAS 00584479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584479?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.