RefChem:349945
TL;DR: RefChem:349945 (CAS 63937-63-3) is a chemical compound with molecular formula C20H23Cl4NO2 and molecular weight 449.04828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-2-methyl-1-[2-(3,4,5-trichlorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trichlorophenethyl)-, hydrochloride, 1-(3,4,5-Trichlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline HCl, 6,7-dimethoxy-2-methyl-1-[2-(3,4,5-trichlorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(3,4,5-TRICHLOROPHENET, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(3,4,5-trichlorophenyl)ethyl]-, hydrochloride
Technical Specifications
| Molecular Formula | C20H23Cl4NO2 |
| Molecular Weight | 449.04828 g/mol |
| XLogP | 1.41 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.04535 Da |
| Heavy Atoms | 27 |
| Complexity | 443.0 |
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C(=C3)Cl)Cl)Cl)OC)OC.[Cl-] |
| InChIKey | VRBJICNRMCPYFG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349945
Property Insights of RefChem:349945
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349945. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:349945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349945 has 1 hydrogen bond donor(s) and 3 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:349945?
The CAS number of RefChem:349945 is 63937-63-3.
What is the molecular formula of RefChem:349945?
The molecular formula of RefChem:349945 is C20H23Cl4NO2.
What is the molecular weight of RefChem:349945?
The molecular weight of RefChem:349945 is 449.04828 g/mol.
Where can I buy RefChem:349945?
You can request a quote for RefChem:349945 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349945?
Yes, CoreyChem provides custom synthesis services for RefChem:349945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.