![1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one structure](/static/products/7902/790270-75-6.webp)
1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one
TL;DR: 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one (CAS 790270-75-6) 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-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one
Also Known As: 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one, 1-[(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one, 1-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one, 1-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one
| Molecular Formula | C11H18N4OS |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.86319 |
| Topological Polar Surface Area | 53.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.12013 |
| Heavy Atoms | 17 |
| Complexity | 450.56906 |
Chemical Identifiers
| CAS Number | 790270-75-6 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CN2CCCCCC2=O |
Product Overview
1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one (CAS 790270-75-6), with molecular formula C11H18N4OS and molecular weight 254.12 g/mol. IUPAC: 1-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one.
Chemical Property Profile of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one
Property Insights of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one
The XLogP value of 1.86319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one. With a topological polar surface area (TPSA) of 53.92 Ų, 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one has 1 hydrogen bond donor(s) and 3 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-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one?
The CAS number of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one is 790270-75-6.
What is the molecular formula of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one?
The molecular formula of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one is C11H18N4OS.
What is the molecular weight of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one?
The molecular weight of 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one is 254.12 g/mol.
Where can I buy 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one?
You can request a quote for 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.