1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride
TL;DR: 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride (CAS 18559-63-2) 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-tetrahydroisoquinolin-2-ium-6,7-diol chloride
Also Known As: (+-)-Trimethoquinol, Tretoquinol dl-form HCl, Tretoquinol dl-form hydrochloride, (+-)-Trimetoquinol hydrochloride, AQ 110
| Molecular Formula | C19H24ClNO5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | -1.47 |
| 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 | 18559-63-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)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
1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride (CAS 18559-63-2), with molecular formula C19H24ClNO5 and molecular weight 381.13 g/mol. IUPAC: 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride
Property Insights of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride
The XLogP value of -1.47 indicates that 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride 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 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride?
The CAS number of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride is 18559-63-2.
What is the molecular formula of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride?
The molecular formula of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride is C19H24ClNO5.
What is the molecular weight of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride?
The molecular weight of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride is 381.13 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride?
You can request a quote for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.