4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
TL;DR: 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one (CAS 117828-52-1) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
Also Known As: Cleroindicin B, 4-hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one, starbld0000813, 4-hydroxy-4-(2-hydroxyethyl)cyclohexanone, Cyclohexanone,4-hydroxy-4-(2-hydroxyethyl)-
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 117828-52-1 |
|---|---|
| SMILES | C1CC(CCC1=O)(CCO)O |
| InChIKey | QLSFMYCHPVOSCD-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one (CAS 117828-52-1), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 4-hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one.
Chemical Property Profile of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
Property Insights of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
The XLogP value of -0.2 indicates that 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one has 2 hydrogen bond donor(s) and 3 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-(2-hydroxyethyl)cyclohexan-1-one?
The CAS number of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one is 117828-52-1.
What is the molecular formula of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one?
The molecular formula of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one is C8H14O3.
What is the molecular weight of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one?
The molecular weight of 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one is 158.09 g/mol.
Where can I buy 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one?
You can request a quote for 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one 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-(2-hydroxyethyl)cyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.