2-Ethylazepane
TL;DR: 2-Ethylazepane (CAS 80053-54-9) 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.
2-ethylazepane
Also Known As: 2-ethylazepane, 2-ETHYLHEXAHYDRO-1H-AZEPINE, J2.105.906D, 102-487-6, RefChem:471899
| Molecular Formula | C8H17N |
|---|---|
| Molecular Weight | 127.14 g/mol |
| LogP | 1.9286 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.1361 |
| Heavy Atoms | 9 |
| Complexity | 62.967888 |
Chemical Identifiers
| CAS Number | 80053-54-9 |
|---|---|
| SMILES | CCC1CCCCCN1 |
Product Overview
2-Ethylazepane (CAS 80053-54-9), with molecular formula C8H17N and molecular weight 127.14 g/mol. IUPAC: 2-ethylazepane.
Chemical Property Profile of 2-Ethylazepane
Property Insights of 2-Ethylazepane
The XLogP value of 1.9286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylazepane. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Ethylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylazepane has 1 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 2-Ethylazepane?
The CAS number of 2-Ethylazepane is 80053-54-9.
What is the molecular formula of 2-Ethylazepane?
The molecular formula of 2-Ethylazepane is C8H17N.
What is the molecular weight of 2-Ethylazepane?
The molecular weight of 2-Ethylazepane is 127.14 g/mol.
Where can I buy 2-Ethylazepane?
You can request a quote for 2-Ethylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylazepane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.