![2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone structure](/static/products/335/335219-23-3.png)
2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
TL;DR: 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone (CAS 335219-23-3) is a chemical compound with molecular formula C17H21N3OS and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
Also Known As: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone, 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone, Ethanone, 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-1-phenyl-
| Molecular Formula | C17H21N3OS |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 3.8378 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.14053 |
| Heavy Atoms | 22 |
| Complexity | 632.6085 |
Chemical Identifiers
| CAS Number | 335219-23-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3CCCCC3 |
Product Overview
2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone (CAS 335219-23-3), with molecular formula C17H21N3OS and molecular weight 315.14 g/mol. IUPAC: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
Property Insights of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
The XLogP value of 3.8378 indicates that 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone 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 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
The CAS number of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is 335219-23-3.
What is the molecular formula of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
The molecular formula of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is C17H21N3OS.
What is the molecular weight of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
The molecular weight of 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone is 315.14 g/mol.
Where can I buy 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
You can request a quote for 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.