![1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one structure](/static/products/853/853725-38-9.png)
1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one
TL;DR: 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one (CAS 853725-38-9) is a chemical compound with molecular formula C14H17N5OS and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one
Also Known As: 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one, 1-[(5-mercapto-4-pyridin-3-yl-4H-1,2,4-triazol-3-yl)methyl]azepan-2-one, 1-[(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one, 1-{4-(Pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-ylmethyl}azepan-2-one
| Molecular Formula | C14H17N5OS |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 2.22749 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1154 |
| Heavy Atoms | 21 |
| Complexity | 678.17285 |
Chemical Identifiers
| CAS Number | 853725-38-9 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)CC2=NNC(=S)N2C3=CN=CC=C3 |
Product Overview
1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one (CAS 853725-38-9), with molecular formula C14H17N5OS and molecular weight 303.12 g/mol. IUPAC: 1-[(4-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one.
Chemical Property Profile of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one
Property Insights of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one
The XLogP value of 2.22749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one. Following Lipinski's Rule of Five, 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one has 1 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-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one?
The CAS number of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one is 853725-38-9.
What is the molecular formula of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one?
The molecular formula of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one is C14H17N5OS.
What is the molecular weight of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one?
The molecular weight of 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one is 303.12 g/mol.
Where can I buy 1-{[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one?
You can request a quote for 1-{[4-(pyridin-3-yl)-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-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(pyridin-3-yl)-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.