5-Phenylazepan-2-one
TL;DR: 5-Phenylazepan-2-one (CAS 7500-39-2) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylazepan-2-one
Also Known As: 5-phenylazepan-2-one, 5-Phenyl-2-azepanone, 5-phenyl-azepan-2-one, 5-Phenylhexahydro-2-azepinone, 5-Phenylhexahydro-1H-azepine-2-one
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 7500-39-2 |
|---|---|
| SMILES | C1CC(=O)NCCC1C2=CC=CC=C2 |
| InChIKey | STAHPHVAVALBIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenylazepan-2-one (CAS 7500-39-2), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 5-phenylazepan-2-one.
Chemical Property Profile of 5-Phenylazepan-2-one
Property Insights of 5-Phenylazepan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylazepan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5-Phenylazepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylazepan-2-one 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 5-Phenylazepan-2-one?
The CAS number of 5-Phenylazepan-2-one is 7500-39-2.
What is the molecular formula of 5-Phenylazepan-2-one?
The molecular formula of 5-Phenylazepan-2-one is C12H15NO.
What is the molecular weight of 5-Phenylazepan-2-one?
The molecular weight of 5-Phenylazepan-2-one is 189.12 g/mol.
Where can I buy 5-Phenylazepan-2-one?
You can request a quote for 5-Phenylazepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylazepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylazepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.