![1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate structure](/static/products/488/488793-47-1.png)
1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate
TL;DR: 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate (CAS 488793-47-1) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(3-cyano-6-methyl-4-pyridin-3-yl-2-pyridinyl)sulfanyl]acetate
Also Known As: 1,1-dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate, tert-butyl [(3'-cyano-6'-methyl-3,4'-bipyridin-2'-yl)sulfanyl]acetate, tert-butyl 2-((3'-cyano-6'-methyl-[3,4'-bipyridin]-2'-yl)thio)acetate, tert-butyl 2-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetate
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.7575 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 777.33136 |
Chemical Identifiers
| CAS Number | 488793-47-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)OC(C)(C)C)C#N)C2=CN=CC=C2 |
Product Overview
1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate (CAS 488793-47-1), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: tert-butyl 2-[(3-cyano-6-methyl-4-pyridin-3-yl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate
Property Insights of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate
The XLogP value of 3.7575 indicates that 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 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 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate?
The CAS number of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate is 488793-47-1.
What is the molecular formula of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate?
The molecular formula of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate is C18H19N3O2S.
What is the molecular weight of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate?
The molecular weight of 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate is 341.12 g/mol.
Where can I buy 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate?
You can request a quote for 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl [(3-cyano-6-methyl-4,3'-bipyridin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.