1-(3-Chlorophenyl)-4-(2-propynyl)piperazine
TL;DR: 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine (CAS 72955-77-2) is a chemical compound with molecular formula C13H15ClN2 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-4-prop-2-ynylpiperazine
Also Known As: 1-(3-chlorophenyl)-4-(2-propynyl)piperazine, 1-(3-chlorophenyl)-4-(prop-2-yn-1-yl)piperazine, 1-(3-chlorophenyl)-4-prop-2-ynylpiperazine, 1-(3-chlorophenyl)-4-prop-2-ynyl-piperazine, 12T-0855
| Molecular Formula | C13H15ClN2 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.0952 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.09238 |
| Heavy Atoms | 16 |
| Complexity | 389.1642 |
Chemical Identifiers
| CAS Number | 72955-77-2 |
|---|---|
| SMILES | C#CCN1CCN(CC1)C2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorophenyl)-4-(2-propynyl)piperazine (CAS 72955-77-2), with molecular formula C13H15ClN2 and molecular weight 234.09 g/mol. IUPAC: 1-(3-chlorophenyl)-4-prop-2-ynylpiperazine.
Chemical Property Profile of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine
Property Insights of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine
The XLogP value of 2.0952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine. With a topological polar surface area (TPSA) of 6.48 Ų, 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine 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-Chlorophenyl)-4-(2-propynyl)piperazine?
The CAS number of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine is 72955-77-2.
What is the molecular formula of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine?
The molecular formula of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine is C13H15ClN2.
What is the molecular weight of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine?
The molecular weight of 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine is 234.09 g/mol.
Where can I buy 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine?
You can request a quote for 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-4-(2-propynyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.