5-Fluorotrimetoquinol
TL;DR: 5-Fluorotrimetoquinol (CAS 104716-88-3) is a chemical compound with molecular formula C19H22FNO5 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Also Known As: 5-Fluorotrimetoquinol, 5-Fluorotretoquinol, TMQ, 5-Fluoro, PDSP1_000602, PDSP2_000599
| Molecular Formula | C19H22FNO5 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1482 |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 104716-88-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C(=C3CCN2)F)O)O |
| InChIKey | FFQYJAQAGWYVQS-UHFFFAOYSA-N |
Product Overview
5-Fluorotrimetoquinol (CAS 104716-88-3), with molecular formula C19H22FNO5 and molecular weight 363.15 g/mol. IUPAC: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
Chemical Property Profile of 5-Fluorotrimetoquinol
Property Insights of 5-Fluorotrimetoquinol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluorotrimetoquinol. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluorotrimetoquinol. Following Lipinski's Rule of Five, 5-Fluorotrimetoquinol has 3 hydrogen bond donor(s) and 7 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 5-Fluorotrimetoquinol?
The CAS number of 5-Fluorotrimetoquinol is 104716-88-3.
What is the molecular formula of 5-Fluorotrimetoquinol?
The molecular formula of 5-Fluorotrimetoquinol is C19H22FNO5.
What is the molecular weight of 5-Fluorotrimetoquinol?
The molecular weight of 5-Fluorotrimetoquinol is 363.15 g/mol.
Where can I buy 5-Fluorotrimetoquinol?
You can request a quote for 5-Fluorotrimetoquinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluorotrimetoquinol?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluorotrimetoquinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.