![2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone structure](/static/products/5405/540515-83-1.webp)
2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
TL;DR: 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CAS 540515-83-1) is a chemical compound with molecular formula C20H26N4OS and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: AO-080/42479357, 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone, 4-cyclohexyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}-5-phenyl-4H-1,2,4-triazole, 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone, 4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
| Molecular Formula | C20H26N4OS |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.1648 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.18274 |
| Heavy Atoms | 26 |
| Complexity | 733.5244 |
Chemical Identifiers
| CAS Number | 540515-83-1 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4 |
Product Overview
2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CAS 540515-83-1), with molecular formula C20H26N4OS and molecular weight 370.18 g/mol. IUPAC: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Property Insights of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
The XLogP value of 4.1648 indicates that 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone 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-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The CAS number of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is 540515-83-1.
What is the molecular formula of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is C20H26N4OS.
What is the molecular weight of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is 370.18 g/mol.
Where can I buy 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.