![N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide structure](/static/products/330/330181-80-1.png)
N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
TL;DR: N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide (CAS 330181-80-1) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
Also Known As: A0439/0020332, N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide, N-(tert-butyl)-2-((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)acetamide, N-(tert-butyl)-2-(3-cyano-4,5,6-trimethyl(2-pyridylthio))acetamide, N-(tert-butyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 330181-80-1 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)NC(C)(C)C)C#N)C |
| InChIKey | NKTKZYZKOFCJSU-UHFFFAOYSA-N |
Product Overview
N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide (CAS 330181-80-1), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: N-tert-butyl-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
Property Insights of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]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 N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide?
The CAS number of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide is 330181-80-1.
What is the molecular formula of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide?
The molecular formula of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide is C15H21N3OS.
What is the molecular weight of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide?
The molecular weight of N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide is 291.14 g/mol.
Where can I buy N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide?
You can request a quote for N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.