RefChem:349948
TL;DR: RefChem:349948 (CAS 63937-59-7) is a chemical compound with molecular formula C21H27BrN2O4 and molecular weight 450.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrophenethyl)methyl-, hydrobromide, 1-(4-Nitrophenyl)propyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide, 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-, monohydrobromide
Technical Specifications
| Molecular Formula | C21H27BrN2O4 |
| Molecular Weight | 450.11542 g/mol |
| XLogP | -0.25 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.11542 Da |
| Heavy Atoms | 28 |
| Complexity | 475.0 |
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.[Br-] |
| InChIKey | DUUXIBXHGQLNAD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349948
Property Insights of RefChem:349948
The XLogP value of -0.25 indicates that RefChem:349948 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349948. Following Lipinski's Rule of Five, RefChem:349948 has 1 hydrogen bond donor(s) and 5 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:349948?
The CAS number of RefChem:349948 is 63937-59-7.
What is the molecular formula of RefChem:349948?
The molecular formula of RefChem:349948 is C21H27BrN2O4.
What is the molecular weight of RefChem:349948?
The molecular weight of RefChem:349948 is 450.11542 g/mol.
Where can I buy RefChem:349948?
You can request a quote for RefChem:349948 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349948?
Yes, CoreyChem provides custom synthesis services for RefChem:349948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.