1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine
TL;DR: 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine (CAS 717894-09-2) is a chemical compound with molecular formula C20H25ClN2O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpiperazine
Also Known As: 1-benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine, AP-263/42466907, 1-benzyl-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpiperazine, 1-benzyl-4-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-piperazine, 5-chloro-2-ethoxy-4-methyl-1-{[4-benzylpiperazinyl]sulfonyl}benzene
| Molecular Formula | C20H25ClN2O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.55362 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.12744 |
| Heavy Atoms | 27 |
| Complexity | 879.59985 |
Chemical Identifiers
| CAS Number | 717894-09-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine (CAS 717894-09-2), with molecular formula C20H25ClN2O3S and molecular weight 408.13 g/mol. IUPAC: 1-benzyl-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine
Property Insights of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine
The XLogP value of 3.55362 indicates that 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine 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 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine?
The CAS number of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine is 717894-09-2.
What is the molecular formula of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine?
The molecular formula of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine is C20H25ClN2O3S.
What is the molecular weight of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine?
The molecular weight of 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine is 408.13 g/mol.
Where can I buy 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine?
You can request a quote for 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.