![N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide structure](/static/products/876/876697-55-1.png)
N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide
TL;DR: N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide (CAS 876697-55-1) is a chemical compound with molecular formula C17H21N5O2S and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
Also Known As: N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide, N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
| Molecular Formula | C17H21N5O2S |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 2.85208 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1416 |
| Heavy Atoms | 25 |
| Complexity | 771.5586 |
Chemical Identifiers
| CAS Number | 876697-55-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=CO3 |
Product Overview
N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide (CAS 876697-55-1), with molecular formula C17H21N5O2S and molecular weight 359.14 g/mol. IUPAC: N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide.
Chemical Property Profile of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide
Property Insights of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide
The XLogP value of 2.85208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide 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 N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide?
The CAS number of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide is 876697-55-1.
What is the molecular formula of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide?
The molecular formula of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide is C17H21N5O2S.
What is the molecular weight of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide?
The molecular weight of N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide is 359.14 g/mol.
Where can I buy N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide?
You can request a quote for N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide 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-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclohexyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.