![N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide structure](/static/products/871/871087-58-0.png)
N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
TL;DR: N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 871087-58-0) is a chemical compound with molecular formula C13H21N5O2S and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C13H21N5O2S |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 1.12798 |
| Topological Polar Surface Area | 103.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1416 |
| Heavy Atoms | 21 |
| Complexity | 586.1175 |
Chemical Identifiers
| CAS Number | 871087-58-0 |
|---|---|
| SMILES | CCCN1C(=O)NN=C1SCC(=O)NC(C)(C#N)C(C)C |
Product Overview
N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 871087-58-0), with molecular formula C13H21N5O2S and molecular weight 311.14 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Property Insights of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
The XLogP value of 1.12798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide. The TPSA of 103.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide has 2 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 N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 871087-58-0.
What is the molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is C13H21N5O2S.
What is the molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 311.14 g/mol.
Where can I buy N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
You can request a quote for N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-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-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.