![1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/7026/702648-47-3.webp)
1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 702648-47-3) is a chemical compound with molecular formula C32H30N6OS and molecular weight 546.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C32H30N6OS |
|---|---|
| Molecular Weight | 546.22 g/mol |
| LogP | 5.3552 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.22015 |
| Heavy Atoms | 40 |
| Complexity | 1482.0193 |
Chemical Identifiers
| CAS Number | 702648-47-3 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6 |
Product Overview
1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 702648-47-3), with molecular formula C32H30N6OS and molecular weight 546.22 g/mol. IUPAC: 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 5.3552 indicates that 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 702648-47-3.
What is the molecular formula of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is C32H30N6OS.
What is the molecular weight of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 546.22 g/mol.
Where can I buy 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.