1,2,3-Octanetriol
TL;DR: 1,2,3-Octanetriol (CAS 112196-85-7) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octane-1,2,3-triol
Also Known As: Octane-1,2,3-triol, 1,2,3-OCTANETRIOL, 1betaDehydroxybaccatin IV, Compound NP-024600, 1,2,3-Octanetriol solution
| Molecular Formula | C8H18O3 |
|---|---|
| Molecular Weight | 162.13 g/mol |
| LogP | 0.2808 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.1256 |
| Heavy Atoms | 11 |
| Complexity | 85.40636 |
Chemical Identifiers
| CAS Number | 112196-85-7 |
|---|---|
| SMILES | CCCCCC(C(CO)O)O |
Product Overview
1,2,3-Octanetriol (CAS 112196-85-7), with molecular formula C8H18O3 and molecular weight 162.13 g/mol. IUPAC: octane-1,2,3-triol.
Chemical Property Profile of 1,2,3-Octanetriol
Property Insights of 1,2,3-Octanetriol
The XLogP value of 0.2808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Octanetriol. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Octanetriol. Following Lipinski's Rule of Five, 1,2,3-Octanetriol 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 1,2,3-Octanetriol?
The CAS number of 1,2,3-Octanetriol is 112196-85-7.
What is the molecular formula of 1,2,3-Octanetriol?
The molecular formula of 1,2,3-Octanetriol is C8H18O3.
What is the molecular weight of 1,2,3-Octanetriol?
The molecular weight of 1,2,3-Octanetriol is 162.13 g/mol.
Where can I buy 1,2,3-Octanetriol?
You can request a quote for 1,2,3-Octanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Octanetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Octanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.