1,3,5-Cyclohexanetrimethanol
TL;DR: 1,3,5-Cyclohexanetrimethanol (CAS 5962-82-3) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(hydroxymethyl)cyclohexyl]methanol
Also Known As: 1,3,5-Cyclohexanetrimethanol, [3,5-bis(hydroxymethyl)cyclohexyl]methanol, 1,5-Cyclohexanetrimethanol, Cyclohexane-1,3,5-triyltrimethanol, (1s,3s,5s)-cyclohexane-1,3,5-triyltrimethanol
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 5962-82-3 |
|---|---|
| SMILES | C1C(CC(CC1CO)CO)CO |
| InChIKey | GTVHYMGRLVPCJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Cyclohexanetrimethanol (CAS 5962-82-3), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: [3,5-bis(hydroxymethyl)cyclohexyl]methanol.
Chemical Property Profile of 1,3,5-Cyclohexanetrimethanol
Property Insights of 1,3,5-Cyclohexanetrimethanol
The XLogP value of -0.2 indicates that 1,3,5-Cyclohexanetrimethanol 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 1,3,5-Cyclohexanetrimethanol. Following Lipinski's Rule of Five, 1,3,5-Cyclohexanetrimethanol 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 1,3,5-Cyclohexanetrimethanol?
The CAS number of 1,3,5-Cyclohexanetrimethanol is 5962-82-3.
What is the molecular formula of 1,3,5-Cyclohexanetrimethanol?
The molecular formula of 1,3,5-Cyclohexanetrimethanol is C9H18O3.
What is the molecular weight of 1,3,5-Cyclohexanetrimethanol?
The molecular weight of 1,3,5-Cyclohexanetrimethanol is 174.13 g/mol.
Where can I buy 1,3,5-Cyclohexanetrimethanol?
You can request a quote for 1,3,5-Cyclohexanetrimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Cyclohexanetrimethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Cyclohexanetrimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.