7-Butyl-3,4,5,6-tetrahydro-2H-azepine
TL;DR: 7-Butyl-3,4,5,6-tetrahydro-2H-azepine (CAS 3338-06-5) is a chemical compound with molecular formula C10H19N and molecular weight 153.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-3,4,5,6-tetrahydro-2H-azepine
Also Known As: 7-Butyl-3,4,5,6-tetrahydro-2H-azepine, 7-Butyl-3,4,5,6(2H)-tetrahydroazepine, 2H-Azepine, 7-butyl-3,4,5,6-tetrahydro-, 7-Butyl-3,4,5,6-tetrahydro-2H-azepine #, RefChem:310501
| Molecular Formula | C10H19N |
|---|---|
| Molecular Weight | 153.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.15175 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 3338-06-5 |
|---|---|
| SMILES | CCCCC1=NCCCCC1 |
| InChIKey | CABSIVOEACYHJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Butyl-3,4,5,6-tetrahydro-2H-azepine (CAS 3338-06-5), with molecular formula C10H19N and molecular weight 153.15 g/mol. IUPAC: 7-butyl-3,4,5,6-tetrahydro-2H-azepine.
Chemical Property Profile of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine
Property Insights of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Butyl-3,4,5,6-tetrahydro-2H-azepine. With a topological polar surface area (TPSA) of 12.4 Ų, 7-Butyl-3,4,5,6-tetrahydro-2H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Butyl-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 7-Butyl-3,4,5,6-tetrahydro-2H-azepine?
The CAS number of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine is 3338-06-5.
What is the molecular formula of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine?
The molecular formula of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine is C10H19N.
What is the molecular weight of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine?
The molecular weight of 7-Butyl-3,4,5,6-tetrahydro-2H-azepine is 153.15 g/mol.
Where can I buy 7-Butyl-3,4,5,6-tetrahydro-2H-azepine?
You can request a quote for 7-Butyl-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 7-Butyl-3,4,5,6-tetrahydro-2H-azepine?
Yes, KEHONG BIO provides custom synthesis services for 7-Butyl-3,4,5,6-tetrahydro-2H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.