3-(4-Fluorophenoxy)-1,2-propanediol
TL;DR: 3-(4-Fluorophenoxy)-1,2-propanediol (CAS 405-90-3) is a chemical compound with molecular formula C9H11FO3 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenoxy)propane-1,2-diol
Also Known As: 3-(4-fluorophenoxy)propane-1,2-diol, 3-(4-Fluorophenoxy)-1,2-propanediol, 3-(4-Fluor-phenoxy)-propan-1,2-diol, 1,2-Propanediol, 3-(4-fluorophenoxy)-, NCI60_012109
| Molecular Formula | C9H11FO3 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.06923 |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 405-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(CO)O)F |
| InChIKey | AKWLXYPVWJFZMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorophenoxy)-1,2-propanediol (CAS 405-90-3), with molecular formula C9H11FO3 and molecular weight 186.07 g/mol. IUPAC: 3-(4-fluorophenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(4-Fluorophenoxy)-1,2-propanediol
Property Insights of 3-(4-Fluorophenoxy)-1,2-propanediol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenoxy)-1,2-propanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(4-Fluorophenoxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenoxy)-1,2-propanediol has 2 hydrogen bond donor(s) and 4 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-(4-Fluorophenoxy)-1,2-propanediol?
The CAS number of 3-(4-Fluorophenoxy)-1,2-propanediol is 405-90-3.
What is the molecular formula of 3-(4-Fluorophenoxy)-1,2-propanediol?
The molecular formula of 3-(4-Fluorophenoxy)-1,2-propanediol is C9H11FO3.
What is the molecular weight of 3-(4-Fluorophenoxy)-1,2-propanediol?
The molecular weight of 3-(4-Fluorophenoxy)-1,2-propanediol is 186.07 g/mol.
Where can I buy 3-(4-Fluorophenoxy)-1,2-propanediol?
You can request a quote for 3-(4-Fluorophenoxy)-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-(4-Fluorophenoxy)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenoxy)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.