BAS 01022651
TL;DR: BAS 01022651 (CAS 333774-40-6) is a chemical compound with molecular formula C22H18ClNO4S and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[(2-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: BAS 01022651, ETHYL 5-ACETYL-2-(2-CHLOROBENZAMIDO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE, AH-262/37093020, ethyl 5-acetyl-2-{[(2-chlorophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate, ethyl 5-acetyl-2-[(2-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H18ClNO4S |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 5.7001 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.0645 |
| Heavy Atoms | 29 |
| Complexity | 1075.6713 |
Chemical Identifiers
| CAS Number | 333774-40-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C(=O)C)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 01022651 (CAS 333774-40-6), with molecular formula C22H18ClNO4S and molecular weight 427.06 g/mol. IUPAC: ethyl 5-acetyl-2-[(2-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of BAS 01022651
Property Insights of BAS 01022651
The XLogP value of 5.7001 indicates that BAS 01022651 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 01022651. Following Lipinski's Rule of Five, BAS 01022651 has 1 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 01022651?
The CAS number of BAS 01022651 is 333774-40-6.
What is the molecular formula of BAS 01022651?
The molecular formula of BAS 01022651 is C22H18ClNO4S.
What is the molecular weight of BAS 01022651?
The molecular weight of BAS 01022651 is 427.06 g/mol.
Where can I buy BAS 01022651?
You can request a quote for BAS 01022651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022651?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.