1-(3-Chlorobenzoyl)-4-ethylpiperazine
TL;DR: 1-(3-Chlorobenzoyl)-4-ethylpiperazine (CAS 545381-62-2) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
Also Known As: 1-(3-chlorobenzoyl)-4-ethylpiperazine, (3-Chlorophenyl)(4-ethyl-1-piperazinyl)methanone, (3-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone, AO-854/14003341
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.1177 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 400.16086 |
Chemical Identifiers
| CAS Number | 545381-62-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorobenzoyl)-4-ethylpiperazine (CAS 545381-62-2), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: (3-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(3-Chlorobenzoyl)-4-ethylpiperazine
Property Insights of 1-(3-Chlorobenzoyl)-4-ethylpiperazine
The XLogP value of 2.1177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzoyl)-4-ethylpiperazine. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(3-Chlorobenzoyl)-4-ethylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzoyl)-4-ethylpiperazine 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-(3-Chlorobenzoyl)-4-ethylpiperazine?
The CAS number of 1-(3-Chlorobenzoyl)-4-ethylpiperazine is 545381-62-2.
What is the molecular formula of 1-(3-Chlorobenzoyl)-4-ethylpiperazine?
The molecular formula of 1-(3-Chlorobenzoyl)-4-ethylpiperazine is C13H17ClN2O.
What is the molecular weight of 1-(3-Chlorobenzoyl)-4-ethylpiperazine?
The molecular weight of 1-(3-Chlorobenzoyl)-4-ethylpiperazine is 252.10 g/mol.
Where can I buy 1-(3-Chlorobenzoyl)-4-ethylpiperazine?
You can request a quote for 1-(3-Chlorobenzoyl)-4-ethylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorobenzoyl)-4-ethylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzoyl)-4-ethylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.