1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine
TL;DR: 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine (CAS 496015-69-1) is a chemical compound with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
Also Known As: piperazine, a12, 1-(4-tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine, 4-(tert-butyl)phenyl 4-(3-chloro-4-methylphenyl)piperazinyl ketone, (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone, 1-[(4-tert-butylphenyl)carbonyl]-4-(3-chloro-4-methylphenyl)piperazine
| Molecular Formula | C22H27ClN2O |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.90832 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.18118 |
| Heavy Atoms | 26 |
| Complexity | 784.7798 |
Chemical Identifiers
| CAS Number | 496015-69-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)Cl |
Product Overview
1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine (CAS 496015-69-1), with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol. IUPAC: (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine
Property Insights of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine
The XLogP value of 4.90832 indicates that 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine has 0 hydrogen bond donor(s) and 2 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-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine?
The CAS number of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine is 496015-69-1.
What is the molecular formula of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine?
The molecular formula of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine is C22H27ClN2O.
What is the molecular weight of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine?
The molecular weight of 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine is 370.18 g/mol.
Where can I buy 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine?
You can request a quote for 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylbenzoyl)-4-(3-chloro-4-methylphenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.