1,1,1-Propanetriol
TL;DR: 1,1,1-Propanetriol (CAS 90042-29-8) is a chemical compound with molecular formula C3H8O3 and molecular weight 92.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propane-1,1,1-triol
Also Known As: Propanetriol, 1,1,1-Propanetriol, Propanoic acid, Propane-1,1,1-triol, propane-1,1-diol
| Molecular Formula | C3H8O3 |
|---|---|
| Molecular Weight | 92.05 g/mol |
| LogP | -0.9729 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 92.04734 |
| Heavy Atoms | 6 |
| Complexity | 35.793194 |
Chemical Identifiers
| CAS Number | 90042-29-8 |
|---|---|
| SMILES | CCC(O)(O)O |
Product Overview
1,1,1-Propanetriol (CAS 90042-29-8), with molecular formula C3H8O3 and molecular weight 92.05 g/mol. IUPAC: propane-1,1,1-triol.
Chemical Property Profile of 1,1,1-Propanetriol
Property Insights of 1,1,1-Propanetriol
The XLogP value of -0.9729 indicates that 1,1,1-Propanetriol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Propanetriol. Following Lipinski's Rule of Five, 1,1,1-Propanetriol 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 1,1,1-Propanetriol?
The CAS number of 1,1,1-Propanetriol is 90042-29-8.
What is the molecular formula of 1,1,1-Propanetriol?
The molecular formula of 1,1,1-Propanetriol is C3H8O3.
What is the molecular weight of 1,1,1-Propanetriol?
The molecular weight of 1,1,1-Propanetriol is 92.05 g/mol.
Where can I buy 1,1,1-Propanetriol?
You can request a quote for 1,1,1-Propanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Propanetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Propanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.