1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone
TL;DR: 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone (CAS 496959-46-7) is a chemical compound with molecular formula C27H29ClN2O2 and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone
Also Known As: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone, 1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethyl-phenoxy)ethanone, 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone
| Molecular Formula | C27H29ClN2O2 |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 5.26944 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.19174 |
| Heavy Atoms | 32 |
| Complexity | 985.2613 |
Chemical Identifiers
| CAS Number | 496959-46-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone (CAS 496959-46-7), with molecular formula C27H29ClN2O2 and molecular weight 448.19 g/mol. IUPAC: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone.
Chemical Property Profile of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone
Property Insights of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone
The XLogP value of 5.26944 indicates that 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone?
The CAS number of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone is 496959-46-7.
What is the molecular formula of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone?
The molecular formula of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone is C27H29ClN2O2.
What is the molecular weight of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone?
The molecular weight of 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone is 448.19 g/mol.
Where can I buy 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone?
You can request a quote for 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzhydrylpiperazin-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.