3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester (CAS 77261-20-2) is a chemical compound with molecular formula C20H16ClNO3S and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(4-chlorobenzamido)-4-phenylthiophene-3-carboxylate, 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester, BAS 01516963, Ethyl 2-((4-chlorobenzoyl)amino)-4-phenyl-3-thiophenecarboxylate, ethyl 2-[(4-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate
| Molecular Formula | C20H16ClNO3S |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 5.4975 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.05396 |
| Heavy Atoms | 26 |
| Complexity | 919.9892 |
Chemical Identifiers
| CAS Number | 77261-20-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester (CAS 77261-20-2), with molecular formula C20H16ClNO3S and molecular weight 385.05 g/mol. IUPAC: ethyl 2-[(4-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester
The XLogP value of 5.4975 indicates that 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester is 77261-20-2.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester is C20H16ClNO3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester is 385.05 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-((4-chlorobenzoyl)amino)-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.