Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate
TL;DR: Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate (CAS 328072-33-9) is a chemical compound with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetate
Also Known As: BAS 01279635, propyl 2-((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)acetate, propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate, AB00080350-01, F0291-0516
| Molecular Formula | C14H18N2O2S |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.92384 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1089 |
| Heavy Atoms | 19 |
| Complexity | 521.1577 |
Chemical Identifiers
| CAS Number | 328072-33-9 |
|---|---|
| SMILES | CCCOC(=O)CSC1=C(C(=C(C(=N1)C)C)C)C#N |
Product Overview
Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate (CAS 328072-33-9), with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol. IUPAC: propyl 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate
Property Insights of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate
The XLogP value of 2.92384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate has 0 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 Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate?
The CAS number of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate is 328072-33-9.
What is the molecular formula of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate?
The molecular formula of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate is C14H18N2O2S.
What is the molecular weight of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate?
The molecular weight of Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate is 278.11 g/mol.
Where can I buy Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate?
You can request a quote for Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.