Trimethoquinol
TL;DR: Trimethoquinol (CAS 18559-59-6) is a chemical compound with molecular formula C19H24ClNO5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Also Known As: Trimethoquinol, Trimetoquinol, Inolin, Tetroquinol, Tretoquinol
| Molecular Formula | C19H24ClNO5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.1343 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 18559-59-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O.Cl |
| InChIKey | UHSXRTHJCJGEKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethoquinol (CAS 18559-59-6), with molecular formula C19H24ClNO5 and molecular weight 381.13 g/mol. IUPAC: 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride.
Chemical Property Profile of Trimethoquinol
Property Insights of Trimethoquinol
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethoquinol. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethoquinol. Following Lipinski's Rule of Five, Trimethoquinol has 4 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 Trimethoquinol?
The CAS number of Trimethoquinol is 18559-59-6.
What is the molecular formula of Trimethoquinol?
The molecular formula of Trimethoquinol is C19H24ClNO5.
What is the molecular weight of Trimethoquinol?
The molecular weight of Trimethoquinol is 381.13 g/mol.
Where can I buy Trimethoquinol?
You can request a quote for Trimethoquinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethoquinol?
Yes, KEHONG BIO provides custom synthesis services for Trimethoquinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.