1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine
TL;DR: 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine (CAS 112747-94-1) is a chemical compound with molecular formula C9H18Cl2N2 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-4-(3-chloropropyl)piperazine
Also Known As: 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine, NCI60_003056, Piperazine, 1-(2-chloroethyl)-4-(3-chloropropyl)-, Piperazine,1-(2-chloroethyl)-4-(3-chloropropyl), 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine #
| Molecular Formula | C9H18Cl2N2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0847 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 112747-94-1 |
|---|---|
| SMILES | C1CN(CCN1CCCCl)CCCl |
| InChIKey | QPTRATAVQVHORS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine (CAS 112747-94-1), with molecular formula C9H18Cl2N2 and molecular weight 224.08 g/mol. IUPAC: 1-(2-chloroethyl)-4-(3-chloropropyl)piperazine.
Chemical Property Profile of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine
Property Insights of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine. With a topological polar surface area (TPSA) of 6.5 Ų, 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-4-(3-chloropropyl)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-(2-Chloroethyl)-4-(3-chloropropyl)piperazine?
The CAS number of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine is 112747-94-1.
What is the molecular formula of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine?
The molecular formula of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine is C9H18Cl2N2.
What is the molecular weight of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine?
The molecular weight of 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine is 224.08 g/mol.
Where can I buy 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine?
You can request a quote for 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.