RefChem:349903
TL;DR: RefChem:349903 (CAS 63937-86-0) is a chemical compound with molecular formula C21H27BrClNO3 and molecular weight 455.08627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-chlorophenyl)ethyl]-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-6,7,8-trimethoxy-, hydrobromide, 1-(4-Chlorophenethyl)-2-methyl-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide, 1-[2-(4-chlorophenyl)ethyl]-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, Isoquinoline, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-, hydrobromide
Technical Specifications
| Molecular Formula | C21H27BrClNO3 |
| Molecular Weight | 455.08627 g/mol |
| XLogP | 0.11 |
| Topological Polar Surface Area (TPSA) | 32.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.08627 Da |
| Heavy Atoms | 27 |
| Complexity | 429.0 |
| SMILES | C[NH+]1CCC2=CC(=C(C(=C2C1CCC3=CC=C(C=C3)Cl)OC)OC)OC.[Br-] |
| InChIKey | CNWUDWCPTYHKSL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349903
Property Insights of RefChem:349903
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349903. With a topological polar surface area (TPSA) of 32.1 Ų, RefChem:349903 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349903 has 1 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:349903?
The CAS number of RefChem:349903 is 63937-86-0.
What is the molecular formula of RefChem:349903?
The molecular formula of RefChem:349903 is C21H27BrClNO3.
What is the molecular weight of RefChem:349903?
The molecular weight of RefChem:349903 is 455.08627 g/mol.
Where can I buy RefChem:349903?
You can request a quote for RefChem:349903 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349903?
Yes, CoreyChem provides custom synthesis services for RefChem:349903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.