1-Allyl-4-(2-chloroethyl)piperazine
TL;DR: 1-Allyl-4-(2-chloroethyl)piperazine (CAS 112952-20-2) is a chemical compound with molecular formula C9H17ClN2 and molecular weight 188.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-4-prop-2-enylpiperazine
Also Known As: 1-allyl-4-(2-chloroethyl)piperazine, 1-Allyl-4-(2-chloro ethyl)piperazine, 1-(2-chloroethyl)-4-prop-2-enylpiperazine, 1-(2-chloroethyl)-4-prop-2-enyl-piperazine, 1-ALLYL-4-(2-CHLORO-ETHYL)-PIPERAZINE2HCL
| Molecular Formula | C9H17ClN2 |
|---|---|
| Molecular Weight | 188.11 g/mol |
| LogP | 1.0288 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.10803 |
| Heavy Atoms | 12 |
| Complexity | 130.49022 |
Chemical Identifiers
| CAS Number | 112952-20-2 |
|---|---|
| SMILES | C=CCN1CCN(CC1)CCCl |
Product Overview
1-Allyl-4-(2-chloroethyl)piperazine (CAS 112952-20-2), with molecular formula C9H17ClN2 and molecular weight 188.11 g/mol. IUPAC: 1-(2-chloroethyl)-4-prop-2-enylpiperazine.
Chemical Property Profile of 1-Allyl-4-(2-chloroethyl)piperazine
Property Insights of 1-Allyl-4-(2-chloroethyl)piperazine
The XLogP value of 1.0288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-4-(2-chloroethyl)piperazine. With a topological polar surface area (TPSA) of 6.48 Ų, 1-Allyl-4-(2-chloroethyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-4-(2-chloroethyl)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-Allyl-4-(2-chloroethyl)piperazine?
The CAS number of 1-Allyl-4-(2-chloroethyl)piperazine is 112952-20-2.
What is the molecular formula of 1-Allyl-4-(2-chloroethyl)piperazine?
The molecular formula of 1-Allyl-4-(2-chloroethyl)piperazine is C9H17ClN2.
What is the molecular weight of 1-Allyl-4-(2-chloroethyl)piperazine?
The molecular weight of 1-Allyl-4-(2-chloroethyl)piperazine is 188.11 g/mol.
Where can I buy 1-Allyl-4-(2-chloroethyl)piperazine?
You can request a quote for 1-Allyl-4-(2-chloroethyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-4-(2-chloroethyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-4-(2-chloroethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.