BAS 00745189
TL;DR: BAS 00745189 (CAS 312587-33-0) is a chemical compound with molecular formula C23H21ClN2O4S and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: BAS 00745189, ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate, ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, ethyl 2-(3-chlorobenzamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, ETHYL 2-(3-CHLOROBENZAMIDO)-4-METHYL-5-[(2-METHYLPHENYL)CARBAMOYL]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H21ClN2O4S |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 5.69964 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.09106 |
| Heavy Atoms | 31 |
| Complexity | 1156.2283 |
Chemical Identifiers
| CAS Number | 312587-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
BAS 00745189 (CAS 312587-33-0), with molecular formula C23H21ClN2O4S and molecular weight 456.09 g/mol. IUPAC: ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00745189
Property Insights of BAS 00745189
The XLogP value of 5.69964 indicates that BAS 00745189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00745189. Following Lipinski's Rule of Five, BAS 00745189 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00745189?
The CAS number of BAS 00745189 is 312587-33-0.
What is the molecular formula of BAS 00745189?
The molecular formula of BAS 00745189 is C23H21ClN2O4S.
What is the molecular weight of BAS 00745189?
The molecular weight of BAS 00745189 is 456.09 g/mol.
Where can I buy BAS 00745189?
You can request a quote for BAS 00745189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00745189?
Yes, KEHONG BIO provides custom synthesis services for BAS 00745189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.