1-(2-Chloroethyl)azepane
TL;DR: 1-(2-Chloroethyl)azepane (CAS 2205-31-4) is a chemical compound with molecular formula C8H16ClN and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)azepane
Also Known As: 1-(2-chloroethyl)azepane, Tiomesterone, 1-(2-Chloroethyl)hexamethylenimine, 1-(2-Chloroethyl)hexahydro-1H-azepine, N-(2-Chloroethyl)-hexamethyleneimine
| Molecular Formula | C8H16ClN |
|---|---|
| Molecular Weight | 161.10 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 | 161.09712 |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 2205-31-4 |
|---|---|
| SMILES | C1CCCN(CC1)CCCl |
| InChIKey | FEZWHSLWYVTEDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)azepane (CAS 2205-31-4), with molecular formula C8H16ClN and molecular weight 161.10 g/mol. IUPAC: 1-(2-chloroethyl)azepane.
Chemical Property Profile of 1-(2-Chloroethyl)azepane
Property Insights of 1-(2-Chloroethyl)azepane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)azepane. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(2-Chloroethyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)azepane 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)azepane?
The CAS number of 1-(2-Chloroethyl)azepane is 2205-31-4.
What is the molecular formula of 1-(2-Chloroethyl)azepane?
The molecular formula of 1-(2-Chloroethyl)azepane is C8H16ClN.
What is the molecular weight of 1-(2-Chloroethyl)azepane?
The molecular weight of 1-(2-Chloroethyl)azepane is 161.10 g/mol.
Where can I buy 1-(2-Chloroethyl)azepane?
You can request a quote for 1-(2-Chloroethyl)azepane 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)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.