![N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide structure](/static/products/876/876691-76-8.png)
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
TL;DR: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 876691-76-8) is a chemical compound with molecular formula C15H23N5O2S and molecular weight 337.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1-cyanocyclohexyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
| Molecular Formula | C15H23N5O2S |
|---|---|
| Molecular Weight | 337.16 g/mol |
| LogP | 1.75838 |
| Topological Polar Surface Area | 94.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.15726 |
| Heavy Atoms | 23 |
| Complexity | 639.02783 |
Chemical Identifiers
| CAS Number | 876691-76-8 |
|---|---|
| SMILES | CCCN1C(=O)NN=C1SCC(=O)N(C)C2(CCCCC2)C#N |
Product Overview
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 876691-76-8), with molecular formula C15H23N5O2S and molecular weight 337.16 g/mol. IUPAC: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Property Insights of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
The XLogP value of 1.75838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide. The TPSA of 94.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has 1 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-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The CAS number of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 876691-76-8.
What is the molecular formula of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular formula of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is C15H23N5O2S.
What is the molecular weight of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular weight of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 337.16 g/mol.
Where can I buy N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
You can request a quote for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-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-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.