(beta-Chloroethyl)-2-chloromethylpiperidine
TL;DR: (beta-Chloroethyl)-2-chloromethylpiperidine (CAS 23581-47-7) is a chemical compound with molecular formula C8H15Cl2N and molecular weight 195.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-2-(chloromethyl)piperidine
Also Known As: (beta-Chloroethyl)-2-chloromethylpiperidine, NCI60_002968, 1-(2-chloroethyl)-2-(chloromethyl)piperidine, DL-(beta-Chloroethyl)-2-chloromethylpiperidine hydrobromide, 1-(beta-chloroethyl)-2-(chloromethyl)piperidine
| Molecular Formula | C8H15Cl2N |
|---|---|
| Molecular Weight | 195.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05815 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 23581-47-7 |
|---|---|
| SMILES | C1CCN(C(C1)CCl)CCCl |
| InChIKey | FSVDTNBPMLPMBN-UHFFFAOYSA-N |
Product Overview
(beta-Chloroethyl)-2-chloromethylpiperidine (CAS 23581-47-7), with molecular formula C8H15Cl2N and molecular weight 195.06 g/mol. IUPAC: 1-(2-chloroethyl)-2-(chloromethyl)piperidine.
Chemical Property Profile of (beta-Chloroethyl)-2-chloromethylpiperidine
Property Insights of (beta-Chloroethyl)-2-chloromethylpiperidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (beta-Chloroethyl)-2-chloromethylpiperidine. With a topological polar surface area (TPSA) of 3.2 Ų, (beta-Chloroethyl)-2-chloromethylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (beta-Chloroethyl)-2-chloromethylpiperidine has 0 hydrogen bond donor(s) and 1 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 (beta-Chloroethyl)-2-chloromethylpiperidine?
The CAS number of (beta-Chloroethyl)-2-chloromethylpiperidine is 23581-47-7.
What is the molecular formula of (beta-Chloroethyl)-2-chloromethylpiperidine?
The molecular formula of (beta-Chloroethyl)-2-chloromethylpiperidine is C8H15Cl2N.
What is the molecular weight of (beta-Chloroethyl)-2-chloromethylpiperidine?
The molecular weight of (beta-Chloroethyl)-2-chloromethylpiperidine is 195.06 g/mol.
Where can I buy (beta-Chloroethyl)-2-chloromethylpiperidine?
You can request a quote for (beta-Chloroethyl)-2-chloromethylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (beta-Chloroethyl)-2-chloromethylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for (beta-Chloroethyl)-2-chloromethylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.