![ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate structure](/static/products/5453/545372-76-7.webp)
ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
TL;DR: ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 545372-76-7) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate, ETHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(2-cyanoacetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, Ethyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 1.7872 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 643.24854 |
Chemical Identifiers
| CAS Number | 545372-76-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CC#N |
Product Overview
ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 545372-76-7), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: ethyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
Property Insights of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
The XLogP value of 1.7872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-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-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 545372-76-7.
What is the molecular formula of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is C14H17N3O4S.
What is the molecular weight of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 323.09 g/mol.
Where can I buy ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-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-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.