4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone
TL;DR: 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone (CAS 329058-21-1) is a chemical compound with molecular formula C22H28N2O and molecular weight 336.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
Also Known As: 1-benzyl-4-(4-tert-butylbenzoyl)piperazine, 4-(tert-butyl)phenyl 4-benzylpiperazinyl ketone, BAS 00668167, (4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methanone, (4-benzylpiperazin-1-yl)(4-(tert-butyl)phenyl)methanone
| Molecular Formula | C22H28N2O |
|---|---|
| Molecular Weight | 336.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.22015 |
| Heavy Atoms | 25 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 329058-21-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 |
| InChIKey | COMBSXCWDNHHOG-UHFFFAOYSA-N |
Product Overview
4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone (CAS 329058-21-1), with molecular formula C22H28N2O and molecular weight 336.22 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methanone.
Chemical Property Profile of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone
Property Insights of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone
The XLogP value of 3.5 indicates that 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Tert-butyl)phenyl 4-benzylpiperazinyl 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-benzylpiperazinyl ketone?
The CAS number of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone is 329058-21-1.
What is the molecular formula of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone?
The molecular formula of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone is C22H28N2O.
What is the molecular weight of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone?
The molecular weight of 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone is 336.22 g/mol.
Where can I buy 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone?
You can request a quote for 4-(Tert-butyl)phenyl 4-benzylpiperazinyl 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-benzylpiperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butyl)phenyl 4-benzylpiperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.