1-(4-Chloro-o-tolyl)piperazine
TL;DR: 1-(4-Chloro-o-tolyl)piperazine (CAS 58820-36-3) is a chemical compound with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-methylphenyl)piperazine
Also Known As: 1-(4-chloro-2-methylphenyl)piperazine, 1-(4-Chloro-o-tolyl)piperazine, 1-(5-chloro-ortho-tolyl)-piperazine, 1-(4-chloro-2-methyl-phenyl)piperazine, 1-(4-choro-2-methyl-phenyl)-piperazine
| Molecular Formula | C11H15ClN2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.09238 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 58820-36-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N2CCNCC2 |
| InChIKey | MXEFOSLEAQWWDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chloro-o-tolyl)piperazine (CAS 58820-36-3), with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol. IUPAC: 1-(4-chloro-2-methylphenyl)piperazine.
Chemical Property Profile of 1-(4-Chloro-o-tolyl)piperazine
Property Insights of 1-(4-Chloro-o-tolyl)piperazine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-o-tolyl)piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-(4-Chloro-o-tolyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-o-tolyl)piperazine has 1 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-(4-Chloro-o-tolyl)piperazine?
The CAS number of 1-(4-Chloro-o-tolyl)piperazine is 58820-36-3.
What is the molecular formula of 1-(4-Chloro-o-tolyl)piperazine?
The molecular formula of 1-(4-Chloro-o-tolyl)piperazine is C11H15ClN2.
What is the molecular weight of 1-(4-Chloro-o-tolyl)piperazine?
The molecular weight of 1-(4-Chloro-o-tolyl)piperazine is 210.09 g/mol.
Where can I buy 1-(4-Chloro-o-tolyl)piperazine?
You can request a quote for 1-(4-Chloro-o-tolyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-o-tolyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-o-tolyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.