6-Methylazepan-2-one
TL;DR: 6-Methylazepan-2-one (CAS 6142-55-8) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylazepan-2-one
Also Known As: 6-Methylcaprolactam, 6-methylazepan-2-one, delta-Methylcaprolactam, beta-Methylhexanonisoxim, beta-Methylhexanone isoxime
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 6142-55-8 |
|---|---|
| SMILES | CC1CCCC(=O)NC1 |
| InChIKey | XDAWFENPCDYKEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methylazepan-2-one (CAS 6142-55-8), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 6-methylazepan-2-one.
Chemical Property Profile of 6-Methylazepan-2-one
Property Insights of 6-Methylazepan-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylazepan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 6-Methylazepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylazepan-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 6-Methylazepan-2-one?
The CAS number of 6-Methylazepan-2-one is 6142-55-8.
What is the molecular formula of 6-Methylazepan-2-one?
The molecular formula of 6-Methylazepan-2-one is C7H13NO.
What is the molecular weight of 6-Methylazepan-2-one?
The molecular weight of 6-Methylazepan-2-one is 127.10 g/mol.
Where can I buy 6-Methylazepan-2-one?
You can request a quote for 6-Methylazepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylazepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylazepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.