2-Phenyl-4,5,6,7-tetrahydro-3H-azepine
TL;DR: 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine (CAS 3338-00-9) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenyl-3,4,5,6-tetrahydro-2H-azepine
Also Known As: 7-Phenyl-3,4,5,6-tetrahydro-2H-azepine, 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine, 2-phenyl-4,5,6,7- tetrahydro-3H-azepine, 4,5,6,7-Tetrahydro-2-phenyl-3H-azepine, 7-Phenyl-3,4,5,6(2H)-tetrahydroazepine
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 3338-00-9 |
|---|---|
| SMILES | C1CCC(=NCC1)C2=CC=CC=C2 |
| InChIKey | PGRRLZTVOUMEAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-4,5,6,7-tetrahydro-3H-azepine (CAS 3338-00-9), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 7-phenyl-3,4,5,6-tetrahydro-2H-azepine.
Chemical Property Profile of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine
Property Insights of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine. With a topological polar surface area (TPSA) of 12.4 Ų, 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4,5,6,7-tetrahydro-3H-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 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine?
The CAS number of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine is 3338-00-9.
What is the molecular formula of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine?
The molecular formula of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine is C12H15N.
What is the molecular weight of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine?
The molecular weight of 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine is 173.12 g/mol.
Where can I buy 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine?
You can request a quote for 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4,5,6,7-tetrahydro-3H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.