Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate
TL;DR: Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate (CAS 31309-26-9) is a chemical compound with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)sulfanyl]acetate
Also Known As: ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate, ethyl [(3-cyano-5-nitropyridin-2-yl)thio]acetate, 2-ethoxycarbonylmethylmercapto-3-cyano-5-nitropyridine, ethyl [(3-cyano-5-nitropyridin-2-yl)sulfanyl]acetate, ethyl 2-(3-cyano-5-nitropyridin-2-yl)sulfanylacetate
| Molecular Formula | C10H9N3O4S |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 1.51668 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.03137 |
| Heavy Atoms | 18 |
| Complexity | 512.33453 |
Chemical Identifiers
| CAS Number | 31309-26-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C(C=N1)[N+](=O)[O-])C#N |
Product Overview
Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate (CAS 31309-26-9), with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol. IUPAC: ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate
Property Insights of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate
The XLogP value of 1.51668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate has 0 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 2-(3-cyano-5-nitro-2-pyridylthio)acetate?
The CAS number of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate is 31309-26-9.
What is the molecular formula of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate?
The molecular formula of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate is C10H9N3O4S.
What is the molecular weight of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate?
The molecular weight of Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate is 267.03 g/mol.
Where can I buy Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate?
You can request a quote for Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-cyano-5-nitro-2-pyridylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.