RefChem:349899
TL;DR: RefChem:349899 (CAS 63937-71-3) is a chemical compound with molecular formula C21H27BrClNO2 and molecular weight 439.09137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(4-chlorophenyl)propan-2-yl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chloro-alpha-methyl)phenethyl-6,7-dimethoxy-2-methyl-, hydrobromide, 1-[1-(4-chlorophenyl)propan-2-yl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(4-CHLORO-alpha-METHYL)PHENETHYL-6,7-DIMETHOX, Isoquinoline, 1-[2-(4-chlorophenyl)-1-methylethyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrobromide
Technical Specifications
| Molecular Formula | C21H27BrClNO2 |
| Molecular Weight | 439.09137 g/mol |
| XLogP | 0.35 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.09137 Da |
| Heavy Atoms | 26 |
| Complexity | 413.0 |
| SMILES | CC(CC1=CC=C(C=C1)Cl)C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.[Br-] |
| InChIKey | OEAROORILQLHRU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349899
Property Insights of RefChem:349899
The XLogP value of 0.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349899. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:349899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349899 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:349899?
The CAS number of RefChem:349899 is 63937-71-3.
What is the molecular formula of RefChem:349899?
The molecular formula of RefChem:349899 is C21H27BrClNO2.
What is the molecular weight of RefChem:349899?
The molecular weight of RefChem:349899 is 439.09137 g/mol.
Where can I buy RefChem:349899?
You can request a quote for RefChem:349899 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349899?
Yes, CoreyChem provides custom synthesis services for RefChem:349899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.