![1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](/static/products/7012/701238-63-3.webp)
1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
TL;DR: 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 701238-63-3) is a chemical compound with molecular formula C29H30N6O3S and molecular weight 542.21 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-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C29H30N6O3S |
|---|---|
| Molecular Weight | 542.21 g/mol |
| LogP | 4.8991 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.21 |
| Heavy Atoms | 39 |
| Complexity | 1381.9856 |
Chemical Identifiers
| CAS Number | 701238-63-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 701238-63-3), with molecular formula C29H30N6O3S and molecular weight 542.21 g/mol. IUPAC: 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Property Insights of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
The XLogP value of 4.8991 indicates that 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone has 0 hydrogen bond donor(s) and 7 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-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 701238-63-3.
What is the molecular formula of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is C29H30N6O3S.
What is the molecular weight of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 542.21 g/mol.
Where can I buy 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-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-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.