Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate
TL;DR: Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate (CAS 352703-46-9) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate
Also Known As: ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate, ETHYL 4-CYANO-3-METHYL-5-PROPANAMIDOTHIOPHENE-2-CARBOXYLATE, ethyl 4-cyano-3-methyl-5-propionamidothiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-(propionylamino)-2-thiophenecarboxylate
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.4534 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 514.12756 |
Chemical Identifiers
| CAS Number | 352703-46-9 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N |
Product Overview
Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate (CAS 352703-46-9), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate
Property Insights of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate
The XLogP value of 2.4534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate?
The CAS number of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate is 352703-46-9.
What is the molecular formula of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate?
The molecular formula of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate is C12H14N2O3S.
What is the molecular weight of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate?
The molecular weight of Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate is 266.07 g/mol.
Where can I buy Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate?
You can request a quote for Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-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 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-3-methyl-5-(propanoylamino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.