1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine
TL;DR: 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine (CAS 694499-46-2) 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-(3-chloro-4-methylphenyl)-4-(4-propoxyphenyl)sulfonylpiperazine
Also Known As: 1-(3-chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine, 1-(3-chloro-4-methylphenyl)-4-(4-propoxyphenyl)sulfonylpiperazine, 4-(3-chloro-4-methylphenyl)-1-[(4-propoxyphenyl)sulfonyl]piperazine
| Molecular Formula | C20H25ClN2O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.94812 |
| 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 | 876.59985 |
Chemical Identifiers
| CAS Number | 694499-46-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C)Cl |
Product Overview
1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine (CAS 694499-46-2), with molecular formula C20H25ClN2O3S and molecular weight 408.13 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-4-(4-propoxyphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine
Property Insights of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine
The XLogP value of 3.94812 indicates that 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)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-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)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-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine?
The CAS number of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine is 694499-46-2.
What is the molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine?
The molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine is C20H25ClN2O3S.
What is the molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine?
The molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine is 408.13 g/mol.
Where can I buy 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine?
You can request a quote for 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-methylphenyl)-4-(4-propoxybenzenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.