4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone
TL;DR: 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone (CAS 330216-78-9) is a chemical compound with molecular formula C21H25ClN2O and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
Also Known As: piperazine, a10, 1-(4-tert-butylbenzoyl)-4-(3-chlorophenyl)piperazine, BAS 00855108, 4-(tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone, (4-tert-butylphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
| Molecular Formula | C21H25ClN2O |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 4.5999 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.16553 |
| Heavy Atoms | 25 |
| Complexity | 741.2365 |
Chemical Identifiers
| CAS Number | 330216-78-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl |
Product Overview
4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone (CAS 330216-78-9), with molecular formula C21H25ClN2O and molecular weight 356.17 g/mol. IUPAC: (4-tert-butylphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone
Property Insights of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone
The XLogP value of 4.5999 indicates that 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone 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 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone?
The CAS number of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone is 330216-78-9.
What is the molecular formula of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone?
The molecular formula of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone is C21H25ClN2O.
What is the molecular weight of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone?
The molecular weight of 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone is 356.17 g/mol.
Where can I buy 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone?
You can request a quote for 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butyl)phenyl 4-(3-chlorophenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.