![2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide structure](/static/products/4136/413606-90-3.webp)
2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide
TL;DR: 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide (CAS 413606-90-3) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
Also Known As: 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide, 2-(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanylacetamide, 2-(3-cyano-5-ethyl-4,6-dimethyl-2-pyridylthio)acetamide
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 413606-90-3 |
|---|---|
| SMILES | CCC1=C(C(=C(N=C1C)SCC(=O)N)C#N)C |
| InChIKey | WUOYNYXRBIVXOM-UHFFFAOYSA-N |
Product Overview
2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide (CAS 413606-90-3), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide
Property Insights of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide. Following Lipinski's Rule of Five, 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide has 1 hydrogen bond donor(s) and 4 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 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide?
The CAS number of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide is 413606-90-3.
What is the molecular formula of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide?
The molecular formula of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide is C12H15N3OS.
What is the molecular weight of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide?
The molecular weight of 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide is 249.09 g/mol.
Where can I buy 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide?
You can request a quote for 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.