3-Phenoxy-1,2-propanediol
TL;DR: 3-Phenoxy-1,2-propanediol (CAS 538-43-2) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenoxypropane-1,2-diol
Also Known As: 3-PHENOXY-1,2-PROPANEDIOL, 3-Phenoxypropane-1,2-diol, Antodyne, Antodyn, Phenylglyceryl ether
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
| Vapor Pressure | 0.00002 [mmHg] |
Chemical Identifiers
| CAS Number | 538-43-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(CO)O |
| InChIKey | FNQIYTUXOKTMDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenoxy-1,2-propanediol (CAS 538-43-2), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 3-phenoxypropane-1,2-diol.
Chemical Property Profile of 3-Phenoxy-1,2-propanediol
Property Insights of 3-Phenoxy-1,2-propanediol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenoxy-1,2-propanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-Phenoxy-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenoxy-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
Frequently Asked Questions
What is the CAS number of 3-Phenoxy-1,2-propanediol?
The CAS number of 3-Phenoxy-1,2-propanediol is 538-43-2.
What is the molecular formula of 3-Phenoxy-1,2-propanediol?
The molecular formula of 3-Phenoxy-1,2-propanediol is C9H12O3.
What is the molecular weight of 3-Phenoxy-1,2-propanediol?
The molecular weight of 3-Phenoxy-1,2-propanediol is 168.08 g/mol.
Where can I buy 3-Phenoxy-1,2-propanediol?
You can request a quote for 3-Phenoxy-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenoxy-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenoxy-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.