4-Hydroxy-4-methylcyclohexanone
TL;DR: 4-Hydroxy-4-methylcyclohexanone (CAS 17429-02-6) 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.
4-hydroxy-4-methylcyclohexan-1-one
Also Known As: 4-Hydroxy-4-methylcyclohexanone, 4-hydroxy-4-methylcyclohexan-1-one, 4-Methyl-4-hydroxycyclohexanone, Cyclohexanone, 4-hydroxy-4-methyl-, 4-hydroxy-4-methyl-cyclohexanone
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 17429-02-6 |
|---|---|
| SMILES | CC1(CCC(=O)CC1)O |
| InChIKey | MACNVPBGMHPCML-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4-methylcyclohexanone (CAS 17429-02-6), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4-hydroxy-4-methylcyclohexan-1-one.
Chemical Property Profile of 4-Hydroxy-4-methylcyclohexanone
Property Insights of 4-Hydroxy-4-methylcyclohexanone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-methylcyclohexanone. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-4-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-methylcyclohexanone 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 4-Hydroxy-4-methylcyclohexanone?
The CAS number of 4-Hydroxy-4-methylcyclohexanone is 17429-02-6.
What is the molecular formula of 4-Hydroxy-4-methylcyclohexanone?
The molecular formula of 4-Hydroxy-4-methylcyclohexanone is C7H12O2.
What is the molecular weight of 4-Hydroxy-4-methylcyclohexanone?
The molecular weight of 4-Hydroxy-4-methylcyclohexanone is 128.08 g/mol.
Where can I buy 4-Hydroxy-4-methylcyclohexanone?
You can request a quote for 4-Hydroxy-4-methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.