RefChem:349912
TL;DR: RefChem:349912 (CAS 63937-85-9) 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-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)methyl-6,7-dimethoxy-2-methyl-, hydrobromide, 1-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(4-CHLOROPHENETHYL)METHYL-6,7-DIMETHOXY-2-MET, Isoquinoline, 1-[3-(4-chlorophenyl)propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrobromide
Technical Specifications
| Molecular Formula | C21H27BrClNO2 |
| Molecular Weight | 439.09137 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.09137 Da |
| Heavy Atoms | 26 |
| Complexity | 399.0 |
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCCC3=CC=C(C=C3)Cl)OC)OC.[Br-] |
| InChIKey | BTFSCJCNYHKTAH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349912
Property Insights of RefChem:349912
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349912. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:349912 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349912 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:349912?
The CAS number of RefChem:349912 is 63937-85-9.
What is the molecular formula of RefChem:349912?
The molecular formula of RefChem:349912 is C21H27BrClNO2.
What is the molecular weight of RefChem:349912?
The molecular weight of RefChem:349912 is 439.09137 g/mol.
Where can I buy RefChem:349912?
You can request a quote for RefChem:349912 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349912?
Yes, CoreyChem provides custom synthesis services for RefChem:349912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.