1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 403833-44-3) is a chemical compound with molecular formula C11H18N4OS and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, F1016-0067, 1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C11H18N4OS |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.3098 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.12013 |
| Heavy Atoms | 17 |
| Complexity | 371.30325 |
Chemical Identifiers
| CAS Number | 403833-44-3 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2CCCCCC2 |
Product Overview
1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 403833-44-3), with molecular formula C11H18N4OS and molecular weight 254.12 g/mol. IUPAC: 1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 1.3098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone. With a topological polar surface area (TPSA) of 51.02 Ų, 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone has 0 hydrogen bond donor(s) and 4 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 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 403833-44-3.
What is the molecular formula of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone is C11H18N4OS.
What is the molecular weight of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 254.12 g/mol.
Where can I buy 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(azepan-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.