3-Methylcycloheptanone
TL;DR: 3-Methylcycloheptanone (CAS 13609-58-0) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcycloheptan-1-one
Also Known As: 3-Methylcycloheptanone, 3-methylcycloheptan-1-one, Cycloheptanone, 3-methyl-, 3-Methylcycloheptanone #, (R)-3-Methylcycloheptanone
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 13609-58-0 |
|---|---|
| SMILES | CC1CCCCC(=O)C1 |
| InChIKey | GSYFDULLCGVSNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylcycloheptanone (CAS 13609-58-0), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3-methylcycloheptan-1-one.
Chemical Property Profile of 3-Methylcycloheptanone
Property Insights of 3-Methylcycloheptanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcycloheptanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylcycloheptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcycloheptanone has 0 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 3-Methylcycloheptanone?
The CAS number of 3-Methylcycloheptanone is 13609-58-0.
What is the molecular formula of 3-Methylcycloheptanone?
The molecular formula of 3-Methylcycloheptanone is C8H14O.
What is the molecular weight of 3-Methylcycloheptanone?
The molecular weight of 3-Methylcycloheptanone is 126.10 g/mol.
Where can I buy 3-Methylcycloheptanone?
You can request a quote for 3-Methylcycloheptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcycloheptanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcycloheptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.