![N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide structure](/static/products/879/879135-67-8.png)
N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
TL;DR: N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide (CAS 879135-67-8) is a chemical compound with molecular formula C16H23N5OS and molecular weight 333.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
Also Known As: N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide, N-(1-cyanocyclohexyl)-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}acetamide
| Molecular Formula | C16H23N5OS |
|---|---|
| Molecular Weight | 333.16 g/mol |
| LogP | 2.43928 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.16232 |
| Heavy Atoms | 23 |
| Complexity | 600.10205 |
Chemical Identifiers
| CAS Number | 879135-67-8 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)SCC(=O)NC3(CCCCC3)C#N |
Product Overview
N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide (CAS 879135-67-8), with molecular formula C16H23N5OS and molecular weight 333.16 g/mol. IUPAC: N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide.
Chemical Property Profile of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
Property Insights of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
The XLogP value of 2.43928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)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)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide?
The CAS number of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide is 879135-67-8.
What is the molecular formula of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide?
The molecular formula of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide is C16H23N5OS.
What is the molecular weight of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide?
The molecular weight of N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide is 333.16 g/mol.
Where can I buy N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide?
You can request a quote for N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)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)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclohexyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.