5-Methylazepan-2-one
TL;DR: 5-Methylazepan-2-one (CAS 2210-07-3) is a chemical compound with molecular formula CC1CCC(=O)NCC1 and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylazepan-2-one
Also Known As: 5-methylazepan-2-one, 5-Methyl-2-azepanone, 5-Methylcaprolactam, 4-methyl-caprolactam, 5-Methyl-azepan-2-one
| Molecular Formula | CC1CCC(=O)NCC1 |
|---|---|
| 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 | 2210-07-3 |
|---|---|
| SMILES | CC1CCC(=O)NCC1 |
| InChIKey | BXYQVGFHMYTNBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylazepan-2-one (CAS 2210-07-3), with molecular formula CC1CCC(=O)NCC1 and molecular weight 127.10 g/mol. IUPAC: 5-methylazepan-2-one.
Chemical Property Profile of 5-Methylazepan-2-one
Property Insights of 5-Methylazepan-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylazepan-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5-Methylazepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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 5-Methylazepan-2-one?
The CAS number of 5-Methylazepan-2-one is 2210-07-3.
What is the molecular formula of 5-Methylazepan-2-one?
The molecular formula of 5-Methylazepan-2-one is CC1CCC(=O)NCC1.
What is the molecular weight of 5-Methylazepan-2-one?
The molecular weight of 5-Methylazepan-2-one is 127.10 g/mol.
Where can I buy 5-Methylazepan-2-one?
You can request a quote for 5-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 5-Methylazepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylazepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.