Azepan-4-one
TL;DR: Azepan-4-one (CAS 101930-07-8) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-4-one
Also Known As: Azepan-4-one, 4-azepanone, 4-oxohomopiperidine, 4-perhydroazepinone, Hexahydro-azepin-4-on
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.329 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 80.52933 |
Chemical Identifiers
| CAS Number | 101930-07-8 |
|---|---|
| SMILES | C1CC(=O)CCNC1 |
Product Overview
Azepan-4-one (CAS 101930-07-8), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: azepan-4-one.
Chemical Property Profile of Azepan-4-one
Property Insights of Azepan-4-one
The XLogP value of 0.329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, Azepan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-4-one has 1 hydrogen bond donor(s) and 2 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 Azepan-4-one?
The CAS number of Azepan-4-one is 101930-07-8.
What is the molecular formula of Azepan-4-one?
The molecular formula of Azepan-4-one is C6H11NO.
What is the molecular weight of Azepan-4-one?
The molecular weight of Azepan-4-one is 113.08 g/mol.
Where can I buy Azepan-4-one?
You can request a quote for Azepan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-4-one?
Yes, KEHONG BIO provides custom synthesis services for Azepan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.