RefChem:349904
TL;DR: RefChem:349904 (CAS 63937-80-4) is a chemical compound with molecular formula C20H25Cl2NO2 and molecular weight 381.12622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-chlorophenyl)ethyl]-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-5,6-dimethoxy-2-methyl-, hydrochloride, 1-(4-Chlorophenethyl)-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, 1-[2-(4-chlorophenyl)ethyl]-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-, hydrochloride
Technical Specifications
| Molecular Formula | C20H25Cl2NO2 |
| Molecular Weight | 381.12622 g/mol |
| XLogP | 0.11 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.12622 Da |
| Heavy Atoms | 25 |
| Complexity | 386.0 |
| SMILES | C[NH+]1CCC2=C(C1CCC3=CC=C(C=C3)Cl)C=CC(=C2OC)OC.[Cl-] |
| InChIKey | GQNDSZHIIJWNTO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349904
Property Insights of RefChem:349904
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349904. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:349904 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349904 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:349904?
The CAS number of RefChem:349904 is 63937-80-4.
What is the molecular formula of RefChem:349904?
The molecular formula of RefChem:349904 is C20H25Cl2NO2.
What is the molecular weight of RefChem:349904?
The molecular weight of RefChem:349904 is 381.12622 g/mol.
Where can I buy RefChem:349904?
You can request a quote for RefChem:349904 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349904?
Yes, CoreyChem provides custom synthesis services for RefChem:349904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.