1-(2-Chloroethyl)azocane
TL;DR: 1-(2-Chloroethyl)azocane (CAS 59767-25-8) is a chemical compound with molecular formula C9H18ClN and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)azocane
Also Known As: 1-(2-chloroethyl)azocane, N-(2-chloroethyl)-heptamethyleneimine
| Molecular Formula | C9H18ClN |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.11278 |
| Heavy Atoms | 11 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 59767-25-8 |
|---|---|
| SMILES | C1CCCN(CCC1)CCCl |
| InChIKey | ZZEPPWLXZLMJOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)azocane (CAS 59767-25-8), with molecular formula C9H18ClN and molecular weight 175.11 g/mol. IUPAC: 1-(2-chloroethyl)azocane.
Chemical Property Profile of 1-(2-Chloroethyl)azocane
Property Insights of 1-(2-Chloroethyl)azocane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)azocane. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(2-Chloroethyl)azocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)azocane 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 1-(2-Chloroethyl)azocane?
The CAS number of 1-(2-Chloroethyl)azocane is 59767-25-8.
What is the molecular formula of 1-(2-Chloroethyl)azocane?
The molecular formula of 1-(2-Chloroethyl)azocane is C9H18ClN.
What is the molecular weight of 1-(2-Chloroethyl)azocane?
The molecular weight of 1-(2-Chloroethyl)azocane is 175.11 g/mol.
Where can I buy 1-(2-Chloroethyl)azocane?
You can request a quote for 1-(2-Chloroethyl)azocane 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)azocane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)azocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.