RefChem:1061872
TL;DR: RefChem:1061872 (CAS 63919-13-1) is a chemical compound with molecular formula C21H20Cl2N2O2 and molecular weight 402.09018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride
Also Known As: alpha-(6-Methoxyquinol-4-yl)isoquinolineethanol dihydrochloride, ISOQUINOLINEETHANOL, alpha-(6-METHOXYQUINOL-4-YL)-, DIHYDROCHLORIDE, 2-(Isoquinolin-1-yl)-1-(6-methoxyquinolin-4-yl)ethan-1-ol--hydrogen chloride (1/2), 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride, 4-Quinolinemethanol, .alpha.-(isoquinolinylmethyl)-6-methoxy-, dihydrochloride
Technical Specifications
| Molecular Formula | C21H20Cl2N2O2 |
| Molecular Weight | 402.09018 g/mol |
| XLogP | -3.09 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.09018 Da |
| Heavy Atoms | 27 |
| Complexity | 432.0 |
| SMILES | COC1=CC2=C(C=C[NH+]=C2C=C1)C(CC3=[NH+]C=CC4=CC=CC=C43)O.[Cl-].[Cl-] |
| InChIKey | KTUXEHNBBHDTPH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1061872
Property Insights of RefChem:1061872
The XLogP value of -3.09 indicates that RefChem:1061872 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.7 Ų, RefChem:1061872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061872 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1061872?
The CAS number of RefChem:1061872 is 63919-13-1.
What is the molecular formula of RefChem:1061872?
The molecular formula of RefChem:1061872 is C21H20Cl2N2O2.
What is the molecular weight of RefChem:1061872?
The molecular weight of RefChem:1061872 is 402.09018 g/mol.
Where can I buy RefChem:1061872?
You can request a quote for RefChem:1061872 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1061872?
Yes, CoreyChem provides custom synthesis services for RefChem:1061872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.