3,4,5,6-Tetrahydro-2H-azepine
TL;DR: 3,4,5,6-Tetrahydro-2H-azepine (CAS 2214-81-5) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-tetrahydro-2H-azepine
Also Known As: 3,4,5,6-Tetrahydro-2H-azepine, perhydroazepinyl, azacycloheptene, tetrahydroazepine, 3,4,5,6-Tetrahydroazepine
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2214-81-5 |
|---|---|
| SMILES | C1CCC=NCC1 |
| InChIKey | WNHPMKYMPWMAIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6-Tetrahydro-2H-azepine (CAS 2214-81-5), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 3,4,5,6-tetrahydro-2H-azepine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-2H-azepine
Property Insights of 3,4,5,6-Tetrahydro-2H-azepine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-Tetrahydro-2H-azepine. With a topological polar surface area (TPSA) of 12.4 Ų, 3,4,5,6-Tetrahydro-2H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetrahydro-2H-azepine 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 3,4,5,6-Tetrahydro-2H-azepine?
The CAS number of 3,4,5,6-Tetrahydro-2H-azepine is 2214-81-5.
What is the molecular formula of 3,4,5,6-Tetrahydro-2H-azepine?
The molecular formula of 3,4,5,6-Tetrahydro-2H-azepine is C6H11N.
What is the molecular weight of 3,4,5,6-Tetrahydro-2H-azepine?
The molecular weight of 3,4,5,6-Tetrahydro-2H-azepine is 97.09 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-2H-azepine?
You can request a quote for 3,4,5,6-Tetrahydro-2H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrahydro-2H-azepine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-2H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.