1-Ethylazepane
TL;DR: 1-Ethylazepane (CAS 5913-13-3) is a chemical compound with molecular formula C8H17N and molecular weight 127.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylazepane
Also Known As: 1-Ethylazepane, n-ethylhexamethyleneimine, 1-Ethylazepane #, ethylazaperhydroepine, 1-ethylperhydroazepine
| Molecular Formula | C8H17N |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 5913-13-3 |
|---|---|
| SMILES | CCN1CCCCCC1 |
| InChIKey | RUOFIIKCANAEBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethylazepane (CAS 5913-13-3), with molecular formula C8H17N and molecular weight 127.14 g/mol. IUPAC: 1-ethylazepane.
Chemical Property Profile of 1-Ethylazepane
Property Insights of 1-Ethylazepane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylazepane. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Ethylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylazepane 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-Ethylazepane?
The CAS number of 1-Ethylazepane is 5913-13-3.
What is the molecular formula of 1-Ethylazepane?
The molecular formula of 1-Ethylazepane is C8H17N.
What is the molecular weight of 1-Ethylazepane?
The molecular weight of 1-Ethylazepane is 127.14 g/mol.
Where can I buy 1-Ethylazepane?
You can request a quote for 1-Ethylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.