Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate
TL;DR: Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate (CAS 625370-81-2) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-cyano-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate, ethyl 2-amino-5-cyano-6-mercaptonicotinate, ethyl 2-amino-5-cyano-6-sulfanylidene-1H-pyridine-3-carboxylate, ethyl2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate, ethyl 2-amino-5-cyano-6-thioxo-1H-pyridine-3-carboxylate
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.37477 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 487.11133 |
Chemical Identifiers
| CAS Number | 625370-81-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)C(=C1)C#N)N |
Product Overview
Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate (CAS 625370-81-2), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: ethyl 2-amino-5-cyano-6-sulfanylidene-1H-pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate
Property Insights of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate
The XLogP value of 1.37477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate has 2 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 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate?
The CAS number of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate is 625370-81-2.
What is the molecular formula of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate?
The molecular formula of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate is C9H9N3O2S.
What is the molecular weight of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate?
The molecular weight of Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate is 223.04 g/mol.
Where can I buy Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate?
You can request a quote for Ethyl 2-amino-5-cyano-6-sulfanylpyridine-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-amino-5-cyano-6-sulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-5-cyano-6-sulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.