Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate
TL;DR: Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate (CAS 489401-07-2) is a chemical compound with molecular formula C16H15N3O3S2 and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate
Also Known As: CBKinase1_008452, CBKinase1_020852, BAS 06900335, AM-807/12740199, BRD-K20250063-001-01-4
| Molecular Formula | C16H15N3O3S2 |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 3.2307 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.05548 |
| Heavy Atoms | 24 |
| Complexity | 781.8556 |
Chemical Identifiers
| CAS Number | 489401-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=CC=N2)C#N)C |
Product Overview
Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate (CAS 489401-07-2), with molecular formula C16H15N3O3S2 and molecular weight 361.06 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate
Property Insights of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate
The XLogP value of 3.2307 indicates that Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-(2-pyridylthio)acetylamino)thiophene-2-carboxylate?
The CAS number of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate is 489401-07-2.
What is the molecular formula of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate?
The molecular formula of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate is C16H15N3O3S2.
What is the molecular weight of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate?
The molecular weight of Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate is 361.06 g/mol.
Where can I buy Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate?
You can request a quote for Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)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-(2-pyridylthio)acetylamino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-3-methyl-5-(2-(2-pyridylthio)acetylamino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.