3-(Benzyloxy)-1,2-propanediol
TL;DR: 3-(Benzyloxy)-1,2-propanediol (CAS 4799-67-1) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylmethoxypropane-1,2-diol
Also Known As: 3-(Benzyloxy)propane-1,2-diol, 1-Benzylglycerol, 3-Benzyloxy-1,2-propanediol, 1-O-Benzylglycerol, Glycerol, 1-benzyl-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.0943 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.0943 Da |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| SMILES | C1=CC=C(C=C1)COCC(CO)O |
| InChIKey | LWCIBYRXSHRIAP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Benzyloxy)-1,2-propanediol
Property Insights of 3-(Benzyloxy)-1,2-propanediol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzyloxy)-1,2-propanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(Benzyloxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)-1,2-propanediol has 2 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 3-(Benzyloxy)-1,2-propanediol?
The CAS number of 3-(Benzyloxy)-1,2-propanediol is 4799-67-1.
What is the molecular formula of 3-(Benzyloxy)-1,2-propanediol?
The molecular formula of 3-(Benzyloxy)-1,2-propanediol is C10H14O3.
What is the molecular weight of 3-(Benzyloxy)-1,2-propanediol?
The molecular weight of 3-(Benzyloxy)-1,2-propanediol is 182.0943 g/mol.
Where can I buy 3-(Benzyloxy)-1,2-propanediol?
You can request a quote for 3-(Benzyloxy)-1,2-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Benzyloxy)-1,2-propanediol?
Yes, CoreyChem provides custom synthesis services for 3-(Benzyloxy)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.