4-Hydroxy-2-cyclohexenone
TL;DR: 4-Hydroxy-2-cyclohexenone (CAS 121652-00-4) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxycyclohex-2-en-1-one
Also Known As: 4-Hydroxy-2-cyclohexen-1-one, 4-hydroxy-2-cyclohexenone, 4-hydroxycyclohex-2-en-1-one, 4-hydroxycyclohex-2-enone, 6-Hydroxycyclohexene-3-one
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 121652-00-4 |
|---|---|
| SMILES | C1CC(=O)C=CC1O |
| InChIKey | AMFCFGFZMSQOIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2-cyclohexenone (CAS 121652-00-4), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 4-hydroxycyclohex-2-en-1-one.
Chemical Property Profile of 4-Hydroxy-2-cyclohexenone
Property Insights of 4-Hydroxy-2-cyclohexenone
The XLogP value of -0.2 indicates that 4-Hydroxy-2-cyclohexenone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-2-cyclohexenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-cyclohexenone 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-2-cyclohexenone?
The CAS number of 4-Hydroxy-2-cyclohexenone is 121652-00-4.
What is the molecular formula of 4-Hydroxy-2-cyclohexenone?
The molecular formula of 4-Hydroxy-2-cyclohexenone is C6H8O2.
What is the molecular weight of 4-Hydroxy-2-cyclohexenone?
The molecular weight of 4-Hydroxy-2-cyclohexenone is 112.05 g/mol.
Where can I buy 4-Hydroxy-2-cyclohexenone?
You can request a quote for 4-Hydroxy-2-cyclohexenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-cyclohexenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-cyclohexenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.