2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone (CAS 14761-39-8) is a chemical compound with molecular formula C12H15ClN2O and molecular weight 238.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-chloro-1-(4-phenylpiperazin-1-yl)ethanone, 1-(Chloroacetyl)-4-phenylpiperazine, 2-chloro-1-(4-phenylpiperazino)ethan-1-one, 2-Chloro-1-(4-phenylpiperazino)-1-ethanone, 2-chloro-1-(4-phenylpiperazin-1-yl)ethan-1-one
| Molecular Formula | C12H15ClN2O |
|---|---|
| Molecular Weight | 238.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0873 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 14761-39-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CCl |
| InChIKey | VHIWWIFXKVGUMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone (CAS 14761-39-8), with molecular formula C12H15ClN2O and molecular weight 238.09 g/mol. IUPAC: 2-chloro-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone. With a topological polar surface area (TPSA) of 23.6 Ų, 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone 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 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone is 14761-39-8.
What is the molecular formula of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone is C12H15ClN2O.
What is the molecular weight of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone is 238.09 g/mol.
Where can I buy 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.