2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester
TL;DR: 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester (CAS 554423-83-5) is a chemical compound with molecular formula C13H18ClNO3S and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
Also Known As: 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-(2-chloroacetamido)-4-(2-methylpropyl)thiophene-3-carboxylate, ethyl 2-[(2-chloroacetyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate, ethyl 2-[(2-chloroacetyl)amino]-4-isobutyl-thiophene-3-carboxylate, ethyl 2-(2-chloroacetylamino)-4-(2-methylpropyl)thiophene-3-carboxylate
| Molecular Formula | C13H18ClNO3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.3006 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.06958 |
| Heavy Atoms | 19 |
| Complexity | 456.74084 |
Chemical Identifiers
| CAS Number | 554423-83-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CCl |
Product Overview
2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester (CAS 554423-83-5), with molecular formula C13H18ClNO3S and molecular weight 303.07 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.
Chemical Property Profile of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester
Property Insights of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester
The XLogP value of 3.3006 indicates that 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid 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, 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester 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 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester?
The CAS number of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester is 554423-83-5.
What is the molecular formula of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester?
The molecular formula of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester is C13H18ClNO3S.
What is the molecular weight of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester?
The molecular weight of 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester is 303.07 g/mol.
Where can I buy 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester?
You can request a quote for 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.