1-Phenylpropane-1,2,3-triol
TL;DR: 1-Phenylpropane-1,2,3-triol (CAS 63157-81-3) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylpropane-1,2,3-triol
Also Known As: 1-Phenylglycerol, phenylglycerin, 1-phenylpropane-1,2,3-triol, D-Threo-1-phenylglycerol, (S)-1-phenyl glycerol
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.07864 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 Da |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| SMILES | C1=CC=C(C=C1)C(C(CO)O)O |
| InChIKey | CCFAGRVEHSCROQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenylpropane-1,2,3-triol
Property Insights of 1-Phenylpropane-1,2,3-triol
The XLogP value of -0.2 indicates that 1-Phenylpropane-1,2,3-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 1-Phenylpropane-1,2,3-triol. Following Lipinski's Rule of Five, 1-Phenylpropane-1,2,3-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
What is the CAS number of 1-Phenylpropane-1,2,3-triol?
The CAS number of 1-Phenylpropane-1,2,3-triol is 63157-81-3.
What is the molecular formula of 1-Phenylpropane-1,2,3-triol?
The molecular formula of 1-Phenylpropane-1,2,3-triol is C9H12O3.
What is the molecular weight of 1-Phenylpropane-1,2,3-triol?
The molecular weight of 1-Phenylpropane-1,2,3-triol is 168.07864 g/mol.
Where can I buy 1-Phenylpropane-1,2,3-triol?
You can request a quote for 1-Phenylpropane-1,2,3-triol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenylpropane-1,2,3-triol?
Yes, CoreyChem provides custom synthesis services for 1-Phenylpropane-1,2,3-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.