RefChem:1054991
TL;DR: RefChem:1054991 (CAS 16552-80-0) is a chemical compound with molecular formula C19H24BrNO2 and molecular weight 377.09903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: 1-Benzyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-BENZYL-6,7-DIMETHOXY-2-METHYL-, HYDROBROMIDE, Isoquinoline, 1-benzyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-, hydrobromide, 1-Benzyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-iumbromide, 1-benzyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Technical Specifications
| Molecular Formula | C19H24BrNO2 |
| Molecular Weight | 377.09903 g/mol |
| XLogP | -0.94 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.09903 Da |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CC3=CC=CC=C3)OC)OC.[Br-] |
| InChIKey | QAHDLECDBKGHTA-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1054991
Property Insights of RefChem:1054991
The XLogP value of -0.94 indicates that RefChem:1054991 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:1054991 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054991 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:1054991?
The CAS number of RefChem:1054991 is 16552-80-0.
What is the molecular formula of RefChem:1054991?
The molecular formula of RefChem:1054991 is C19H24BrNO2.
What is the molecular weight of RefChem:1054991?
The molecular weight of RefChem:1054991 is 377.09903 g/mol.
Where can I buy RefChem:1054991?
You can request a quote for RefChem:1054991 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054991?
Yes, CoreyChem provides custom synthesis services for RefChem:1054991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.