Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate
TL;DR: Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate (CAS 730951-36-7) is a chemical compound with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylate
Also Known As: ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate, 3-(2-Chloro-acetylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester, ethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylate, Ethyl 3-[(2-chloroacetyl)amino]-5-phenyl-2-thiophenecarboxylate, ethyl3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate
| Molecular Formula | C15H14ClNO3S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 3.7691 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0383 |
| Heavy Atoms | 21 |
| Complexity | 639.6232 |
Chemical Identifiers
| CAS Number | 730951-36-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCl |
Product Overview
Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate (CAS 730951-36-7), with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol. IUPAC: ethyl 3-[(2-chloroacetyl)amino]-5-phenylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate
Property Insights of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate
The XLogP value of 3.7691 indicates that Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-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, Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-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 Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate?
The CAS number of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate is 730951-36-7.
What is the molecular formula of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate?
The molecular formula of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate is C15H14ClNO3S.
What is the molecular weight of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate?
The molecular weight of Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate is 323.04 g/mol.
Where can I buy Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate?
You can request a quote for Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-chloroacetamido)-5-phenylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.