4-Phenylazepane
TL;DR: 4-Phenylazepane (CAS 898528-59-1) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylazepane
Also Known As: 4-Phenylazepane, 4-PHENYL-AZEPANE, 4-phenyl-perhydro-azepine, 4-PHENYL-AZEPANE HCL, 4-Phenylazepanehydrochloride
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 898528-59-1 |
|---|---|
| SMILES | C1CC(CCNC1)C2=CC=CC=C2 |
| InChIKey | AHKQOPMYYACTFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenylazepane (CAS 898528-59-1), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 4-phenylazepane.
Chemical Property Profile of 4-Phenylazepane
Property Insights of 4-Phenylazepane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylazepane. With a topological polar surface area (TPSA) of 12.0 Ų, 4-Phenylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylazepane 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 4-Phenylazepane?
The CAS number of 4-Phenylazepane is 898528-59-1.
What is the molecular formula of 4-Phenylazepane?
The molecular formula of 4-Phenylazepane is C12H17N.
What is the molecular weight of 4-Phenylazepane?
The molecular weight of 4-Phenylazepane is 175.14 g/mol.
Where can I buy 4-Phenylazepane?
You can request a quote for 4-Phenylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylazepane?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.