Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 544450-68-2) is a chemical compound with molecular formula C16H16ClNO3S and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: METHYL 2-(4-CHLOROBENZAMIDO)-4-ETHYL-5-METHYLTHIOPHENE-3-CARBOXYLATE, J3.174.088F, 2-(4-Chloro-benzoylamino)-4-ethyl-5-methyl-th iophene-3-carboxylic acid methyl ester, methyl 2-[(4-chlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, 2-(4-Chlorobenzoylamino)-4-ethyl-5-methylthiophene-3-carboxylic acid methyl ester
| Molecular Formula | C16H16ClNO3S |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.31122 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.05396 |
| Heavy Atoms | 22 |
| Complexity | 706.92615 |
Chemical Identifiers
| CAS Number | 544450-68-2 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 544450-68-2), with molecular formula C16H16ClNO3S and molecular weight 337.05 g/mol. IUPAC: methyl 2-[(4-chlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 4.31122 indicates that Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate is 544450-68-2.
What is the molecular formula of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate is C16H16ClNO3S.
What is the molecular weight of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate is 337.05 g/mol.
Where can I buy Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.