2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide
TL;DR: 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide (CAS 578718-36-2) is a chemical compound with molecular formula C14H25N5OS and molecular weight 311.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
Also Known As: 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-acetamide, 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C14H25N5OS |
|---|---|
| Molecular Weight | 311.18 g/mol |
| LogP | 2.0001 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.17798 |
| Heavy Atoms | 21 |
| Complexity | 465.92947 |
Chemical Identifiers
| CAS Number | 578718-36-2 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1N)C2CCCCC2 |
Product Overview
2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide (CAS 578718-36-2), with molecular formula C14H25N5OS and molecular weight 311.18 g/mol. IUPAC: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide
Property Insights of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide
The XLogP value of 2.0001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide 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 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide?
The CAS number of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide is 578718-36-2.
What is the molecular formula of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide?
The molecular formula of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide is C14H25N5OS.
What is the molecular weight of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide?
The molecular weight of 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide is 311.18 g/mol.
Where can I buy 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide?
You can request a quote for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.