![5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one structure](/static/products/5887/5887-99-0.webp)
5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one
TL;DR: 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one (CAS 5887-99-0) is a chemical compound with molecular formula C34H39N5O2S and molecular weight 581.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one
Also Known As: 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one, 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one
| Molecular Formula | C34H39N5O2S |
|---|---|
| Molecular Weight | 581.28 g/mol |
| LogP | 6.056 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 581.2825 |
| Heavy Atoms | 42 |
| Complexity | 1456.5576 |
Chemical Identifiers
| CAS Number | 5887-99-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5 |
Product Overview
5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one (CAS 5887-99-0), with molecular formula C34H39N5O2S and molecular weight 581.28 g/mol. IUPAC: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one.
Chemical Property Profile of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one
Property Insights of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one
The XLogP value of 6.056 indicates that 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one. Following Lipinski's Rule of Five, 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one?
The CAS number of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one is 5887-99-0.
What is the molecular formula of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one?
The molecular formula of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one is C34H39N5O2S.
What is the molecular weight of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one?
The molecular weight of 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one is 581.28 g/mol.
Where can I buy 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one?
You can request a quote for 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]pentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.