2-(1-Hydroxy-2-methylpropyl)cyclohexanone
TL;DR: 2-(1-Hydroxy-2-methylpropyl)cyclohexanone (CAS 4389-39-3) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxy-2-methylpropyl)cyclohexan-1-one
Also Known As: NCIOpen2_000620, 2-(1-hydroxy-2-methylpropyl)cyclohexanone, 2-(1-hydroxy-2-methylpropyl)cyclohexan-1-one, 2(1'-Hydroxy-2'-methylpropyl)cyclohexanon, Cyclohexanone,2-(1-hydroxy-2-methylpropyl)-
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 4389-39-3 |
|---|---|
| SMILES | CC(C)C(C1CCCCC1=O)O |
| InChIKey | FHZKOZKYUQDWBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Hydroxy-2-methylpropyl)cyclohexanone (CAS 4389-39-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-(1-hydroxy-2-methylpropyl)cyclohexan-1-one.
Chemical Property Profile of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone
Property Insights of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hydroxy-2-methylpropyl)cyclohexanone. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(1-Hydroxy-2-methylpropyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Hydroxy-2-methylpropyl)cyclohexanone 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 2-(1-Hydroxy-2-methylpropyl)cyclohexanone?
The CAS number of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone is 4389-39-3.
What is the molecular formula of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone?
The molecular formula of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone is C10H18O2.
What is the molecular weight of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone?
The molecular weight of 2-(1-Hydroxy-2-methylpropyl)cyclohexanone is 170.13 g/mol.
Where can I buy 2-(1-Hydroxy-2-methylpropyl)cyclohexanone?
You can request a quote for 2-(1-Hydroxy-2-methylpropyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hydroxy-2-methylpropyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hydroxy-2-methylpropyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.