RefChem:1073579
TL;DR: RefChem:1073579 (CAS 93568-41-3) is a chemical compound with molecular formula C13H20ClNO4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4-ol chloride
Also Known As: 4-Hydroxy-2-methyl-6,7,8-trimethoxytetrahydroisoquinoline hydrochloride, 1,2,3,4-Tetrahydro-2-methyl-6,7,8-trimethoxy-4-isoquinolinol hydrochloride, 4-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-2-METHYL-6,7,8-TRIMETHOXY-, HYDROCHLORIDE, 6,7,8-Trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4-olchloride, 4-Hydroxy-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium chloride
| Molecular Formula | C13H20ClNO4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | -3.22 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.1081 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 93568-41-3 |
|---|---|
| SMILES | C[NH+]1CC(C2=CC(=C(C(=C2C1)OC)OC)OC)O.[Cl-] |
| InChIKey | ARSCOWOJWAVBEQ-UHFFFAOYSA-N |
Product Overview
RefChem:1073579 (CAS 93568-41-3), with molecular formula C13H20ClNO4 and molecular weight 289.11 g/mol. IUPAC: 6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4-ol chloride.
Chemical Property Profile of RefChem:1073579
Property Insights of RefChem:1073579
The XLogP value of -3.22 indicates that RefChem:1073579 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.4 Ų, RefChem:1073579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073579 has 2 hydrogen bond donor(s) and 5 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 RefChem:1073579?
The CAS number of RefChem:1073579 is 93568-41-3.
What is the molecular formula of RefChem:1073579?
The molecular formula of RefChem:1073579 is C13H20ClNO4.
What is the molecular weight of RefChem:1073579?
The molecular weight of RefChem:1073579 is 289.11 g/mol.
Where can I buy RefChem:1073579?
You can request a quote for RefChem:1073579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.