2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester
TL;DR: 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester (CAS 105522-79-0) is a chemical compound with molecular formula C14H18ClNO5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-5-(2-ethoxy-2-oxoethyl)-4-methylthiophene-3-carboxylate
Also Known As: BAS 00107434, 2-Chloroacetylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetic acid ethyl ester, 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester, 4-Carboxy-5-(2-chloroacetamido)-3-methyl-2-thiopheneacetic acid diethyl ester, 2-Thiopheneacetic acid, 5-((chloroacetyl)amino)-4-(ethoxycarbonyl)-3-methyl-, ethyl ester
| Molecular Formula | C14H18ClNO5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 2.51612 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.05942 |
| Heavy Atoms | 22 |
| Complexity | 569.8246 |
Chemical Identifiers
| CAS Number | 105522-79-0 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(=C(S1)NC(=O)CCl)C(=O)OCC)C |
Product Overview
2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester (CAS 105522-79-0), with molecular formula C14H18ClNO5S and molecular weight 347.06 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-5-(2-ethoxy-2-oxoethyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester
Property Insights of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester
The XLogP value of 2.51612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester. Following Lipinski's Rule of Five, 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester has 1 hydrogen bond donor(s) and 6 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-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester?
The CAS number of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester is 105522-79-0.
What is the molecular formula of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester?
The molecular formula of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester is C14H18ClNO5S.
What is the molecular weight of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester?
The molecular weight of 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester is 347.06 g/mol.
Where can I buy 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester?
You can request a quote for 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.