3,3-Dimethylbutane-1,2,4-triol
TL;DR: 3,3-Dimethylbutane-1,2,4-triol (CAS 15833-80-4) is a chemical compound with molecular formula C6H14O3 and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbutane-1,2,4-triol
Also Known As: 3,3-Dimethylbutane-1,2,4-triol, starbld0030111, 3,3-Dimethyl-1,2,4-butanetriol, 1,2,4-Butanetriol, 3,3-dimethyl-, 1,2,4-Butanetriol,3,3-dimethyl-
| Molecular Formula | C6H14O3 |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.0943 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 15833-80-4 |
|---|---|
| SMILES | CC(C)(CO)C(CO)O |
| InChIKey | SJTKQIPAACOOGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylbutane-1,2,4-triol (CAS 15833-80-4), with molecular formula C6H14O3 and molecular weight 134.09 g/mol. IUPAC: 3,3-dimethylbutane-1,2,4-triol.
Chemical Property Profile of 3,3-Dimethylbutane-1,2,4-triol
Property Insights of 3,3-Dimethylbutane-1,2,4-triol
The XLogP value of -0.6 indicates that 3,3-Dimethylbutane-1,2,4-triol 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 3,3-Dimethylbutane-1,2,4-triol. Following Lipinski's Rule of Five, 3,3-Dimethylbutane-1,2,4-triol 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 3,3-Dimethylbutane-1,2,4-triol?
The CAS number of 3,3-Dimethylbutane-1,2,4-triol is 15833-80-4.
What is the molecular formula of 3,3-Dimethylbutane-1,2,4-triol?
The molecular formula of 3,3-Dimethylbutane-1,2,4-triol is C6H14O3.
What is the molecular weight of 3,3-Dimethylbutane-1,2,4-triol?
The molecular weight of 3,3-Dimethylbutane-1,2,4-triol is 134.09 g/mol.
Where can I buy 3,3-Dimethylbutane-1,2,4-triol?
You can request a quote for 3,3-Dimethylbutane-1,2,4-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylbutane-1,2,4-triol?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylbutane-1,2,4-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.