7-Methyl-2-oxepanone
TL;DR: 7-Methyl-2-oxepanone (CAS 2549-59-9) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyloxepan-2-one
Also Known As: 7-methyloxepan-2-one, 2-Oxepanone, 7-methyl-, 7-Methyl-2-oxepanone, 7-methyl-oxepan-2-one, 2-Oxepanone,7-methyl-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 2549-59-9 |
|---|---|
| SMILES | CC1CCCCC(=O)O1 |
| InChIKey | WZRNGGFHDMOCEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methyl-2-oxepanone (CAS 2549-59-9), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 7-methyloxepan-2-one.
Chemical Property Profile of 7-Methyl-2-oxepanone
Property Insights of 7-Methyl-2-oxepanone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-2-oxepanone. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Methyl-2-oxepanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-2-oxepanone has 0 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 7-Methyl-2-oxepanone?
The CAS number of 7-Methyl-2-oxepanone is 2549-59-9.
What is the molecular formula of 7-Methyl-2-oxepanone?
The molecular formula of 7-Methyl-2-oxepanone is C7H12O2.
What is the molecular weight of 7-Methyl-2-oxepanone?
The molecular weight of 7-Methyl-2-oxepanone is 128.08 g/mol.
Where can I buy 7-Methyl-2-oxepanone?
You can request a quote for 7-Methyl-2-oxepanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-2-oxepanone?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-2-oxepanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.