8-Fluorotrimetoquinol
TL;DR: 8-Fluorotrimetoquinol (CAS 104716-89-4) 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.
8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Also Known As: 8-Fluorotretoquinol, 8-Fluorotrimetoquinol, 8-Fluoro-TMQ, TMQ, (+/-)-8-Fluoro, PDSP1_000595
| 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 | 104716-89-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2C3=C(C(=C(C=C3CCN2)O)O)F |
| InChIKey | MKRDKFSQEPQZSX-UHFFFAOYSA-N |
Product Overview
8-Fluorotrimetoquinol (CAS 104716-89-4), with molecular formula C19H22FNO5 and molecular weight 363.15 g/mol. IUPAC: 8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
Chemical Property Profile of 8-Fluorotrimetoquinol
Property Insights of 8-Fluorotrimetoquinol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Fluorotrimetoquinol. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Fluorotrimetoquinol. Following Lipinski's Rule of Five, 8-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 8-Fluorotrimetoquinol?
The CAS number of 8-Fluorotrimetoquinol is 104716-89-4.
What is the molecular formula of 8-Fluorotrimetoquinol?
The molecular formula of 8-Fluorotrimetoquinol is C19H22FNO5.
What is the molecular weight of 8-Fluorotrimetoquinol?
The molecular weight of 8-Fluorotrimetoquinol is 363.15 g/mol.
Where can I buy 8-Fluorotrimetoquinol?
You can request a quote for 8-Fluorotrimetoquinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Fluorotrimetoquinol?
Yes, KEHONG BIO provides custom synthesis services for 8-Fluorotrimetoquinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.