RefChem:349946
TL;DR: RefChem:349946 (CAS 63937-58-6) is a chemical compound with molecular formula C20H25ClN2O4 and molecular weight 392.1503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-2-methyl-1-[2-(3-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3-nitrophenethyl)-, hydrochloride, 1-(3-Nitrophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 6,7-dimethoxy-2-methyl-1-[2-(3-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(3-nitrophenyl)ethyl]-, monohydrochloride
Technical Specifications
| Molecular Formula | C20H25ClN2O4 |
| Molecular Weight | 392.1503 g/mol |
| XLogP | -0.64 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1503 Da |
| Heavy Atoms | 27 |
| Complexity | 469.0 |
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCC3=CC(=CC=C3)[N+](=O)[O-])OC)OC.[Cl-] |
| InChIKey | INHPISRLZMRZBK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349946
Property Insights of RefChem:349946
The XLogP value of -0.64 indicates that RefChem:349946 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349946. Following Lipinski's Rule of Five, RefChem:349946 has 1 hydrogen bond donor(s) and 5 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:349946?
The CAS number of RefChem:349946 is 63937-58-6.
What is the molecular formula of RefChem:349946?
The molecular formula of RefChem:349946 is C20H25ClN2O4.
What is the molecular weight of RefChem:349946?
The molecular weight of RefChem:349946 is 392.1503 g/mol.
Where can I buy RefChem:349946?
You can request a quote for RefChem:349946 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349946?
Yes, CoreyChem provides custom synthesis services for RefChem:349946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.