Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate
TL;DR: Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate (CAS 449177-12-2) is a chemical compound with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate
Also Known As: BAS 04807190, F2590-0721, ethyl 4-cyano-3-methyl-5-(2-thenylamino)-2-thenoate, ETHYL 4-CYANO-3-METHYL-5-(THIOPHENE-2-AMIDO)THIOPHENE-2-CARBOXYLATE, ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate
| Molecular Formula | C14H12N2O3S2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.02893 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 449177-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CS2)C#N)C |
| InChIKey | KTQJKUSFUNUKCY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate (CAS 449177-12-2), with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-(thiophene-2-carbonylamino)thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate
Property Insights of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate
The XLogP value of 4.0 indicates that Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-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 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate?
The CAS number of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate is 449177-12-2.
What is the molecular formula of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate?
The molecular formula of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate is C14H12N2O3S2.
What is the molecular weight of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate?
The molecular weight of Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate is 320.03 g/mol.
Where can I buy Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate?
You can request a quote for Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)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-(2-thienylcarbonylamino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-3-methyl-5-(2-thienylcarbonylamino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.