3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol
TL;DR: 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol (CAS 61248-77-9) is a chemical compound with molecular formula C10H11F3O3 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)phenoxy]propane-1,2-diol
Also Known As: (-)-sesamin, NCIOpen2_003840, 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol, 3-(3-trifluoromethyl-phenoxy)-propane-1,2-diol, 3-[3-(trifluoromethyl)phenoxy]propane-1,2-diol
| Molecular Formula | C10H11F3O3 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06602 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 61248-77-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC(CO)O)C(F)(F)F |
| InChIKey | VLHNLWRHUSZUIU-UHFFFAOYSA-N |
Product Overview
3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol (CAS 61248-77-9), with molecular formula C10H11F3O3 and molecular weight 236.07 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenoxy]propane-1,2-diol.
Chemical Property Profile of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol
Property Insights of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol has 2 hydrogen bond donor(s) and 6 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-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol?
The CAS number of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol is 61248-77-9.
What is the molecular formula of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol?
The molecular formula of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol is C10H11F3O3.
What is the molecular weight of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol?
The molecular weight of 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol is 236.07 g/mol.
Where can I buy 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol?
You can request a quote for 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.