1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide
TL;DR: 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide (CAS 10457-56-4) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)-phenylmethyl]-1-methyl-1-oxidopiperazin-1-ium
Also Known As: Chlorcyclizine N-Oxide, Chlorcyclizine-N-oxide, KST-1A9925, 1-(p-chloro-, A-phenylbenzyl)-4-methylpiperazine 4-oxide
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 10457-56-4 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)[O-] |
| InChIKey | HIOJYWZEIGKVIM-UHFFFAOYSA-N |
Product Overview
1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide (CAS 10457-56-4), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: 4-[(4-chlorophenyl)-phenylmethyl]-1-methyl-1-oxidopiperazin-1-ium.
Chemical Property Profile of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide
Property Insights of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide
The XLogP value of 3.3 indicates that 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide 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-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide?
The CAS number of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide is 10457-56-4.
What is the molecular formula of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide?
The molecular formula of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide is C18H21ClN2O.
What is the molecular weight of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide?
The molecular weight of 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide is 316.13 g/mol.
Where can I buy 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide?
You can request a quote for 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Chloro-alpha-phenylbenzyl)-4-methylpiperazine 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.