Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate (CAS 726151-90-2) is a chemical compound with molecular formula C16H13ClN2O3S2 and molecular weight 380.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloroacetyl)amino]-4-phenyl-5-thiocyanatothiophene-3-carboxylate
Also Known As: ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate, 2-(2-Chloro-acetylamino)-4-phenyl-5-thiocyanato-thiophene-3-carboxylic acid ethyl ester, ethyl 2-[(2-chloroacetyl)amino]-4-phenyl-5-thiocyanatothiophene-3-carboxylate, ethyl 2-(2-chloroacetylamino)-5-cyanothio-4-phenylthiophene-3-carboxylate, ethyl 2-[(2-chloroacetyl)amino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate
| Molecular Formula | C16H13ClN2O3S2 |
|---|---|
| Molecular Weight | 380.01 g/mol |
| LogP | 4.34228 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0056 |
| Heavy Atoms | 24 |
| Complexity | 784.6105 |
Chemical Identifiers
| CAS Number | 726151-90-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NC(=O)CCl |
Product Overview
Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate (CAS 726151-90-2), with molecular formula C16H13ClN2O3S2 and molecular weight 380.01 g/mol. IUPAC: ethyl 2-[(2-chloroacetyl)amino]-4-phenyl-5-thiocyanatothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate
The XLogP value of 4.34228 indicates that Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate 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 Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate is 726151-90-2.
What is the molecular formula of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate is C16H13ClN2O3S2.
What is the molecular weight of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate is 380.01 g/mol.
Where can I buy Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-chloroacetamido)-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.