1,2,4-Cyclohexanetriol
TL;DR: 1,2,4-Cyclohexanetriol (CAS 79817-82-6) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexane-1,2,4-triol
Also Known As: 1,2,4-Cyclohexanetriol, cyclohexane-1,2,4-triol, 1,2,4-Cyclohexanetriol #, J1.015.563K, I01-3670
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 79817-82-6 |
|---|---|
| SMILES | C1CC(C(CC1O)O)O |
| InChIKey | ZHMPXIDAUXCKIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Cyclohexanetriol (CAS 79817-82-6), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: cyclohexane-1,2,4-triol.
Chemical Property Profile of 1,2,4-Cyclohexanetriol
Property Insights of 1,2,4-Cyclohexanetriol
The XLogP value of -0.8 indicates that 1,2,4-Cyclohexanetriol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Cyclohexanetriol. Following Lipinski's Rule of Five, 1,2,4-Cyclohexanetriol has 3 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 1,2,4-Cyclohexanetriol?
The CAS number of 1,2,4-Cyclohexanetriol is 79817-82-6.
What is the molecular formula of 1,2,4-Cyclohexanetriol?
The molecular formula of 1,2,4-Cyclohexanetriol is C6H12O3.
What is the molecular weight of 1,2,4-Cyclohexanetriol?
The molecular weight of 1,2,4-Cyclohexanetriol is 132.08 g/mol.
Where can I buy 1,2,4-Cyclohexanetriol?
You can request a quote for 1,2,4-Cyclohexanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Cyclohexanetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Cyclohexanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.