![ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate structure](/static/products/3099/309950-76-3.webp)
ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate (CAS 309950-76-3) is a chemical compound with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate, F2590-0840, ETHYL 5-(3-CHLORO-1-BENZOTHIOPHENE-2-AMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE, ethyl 5-(3-chlorobenzo[b]thiophene-2-carboxamido)-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
| Molecular Formula | C18H13ClN2O3S2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 5.2253 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0056 |
| Heavy Atoms | 26 |
| Complexity | 1062.4962 |
Chemical Identifiers
| CAS Number | 309950-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N)C |
Product Overview
ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate (CAS 309950-76-3), with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol. IUPAC: ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 5.2253 indicates that ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-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 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate is 309950-76-3.
What is the molecular formula of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate is C18H13ClN2O3S2.
What is the molecular weight of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate is 404.01 g/mol.
Where can I buy ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-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 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.