6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline
TL;DR: 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline (CAS 108737-12-8) is a chemical compound with molecular formula C18H17IN2O2 and molecular weight 420.03348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-2-iodoaniline
Also Known As: 6,7-I-Dmabi, (125I)-Dmabi, 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline, 4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-2-iodoaniline, 4-[(6,7-Dimethoxyisoquinolin-4-yl)methyl]-2-iodobenzenamine
Technical Specifications
| Molecular Formula | C18H17IN2O2 |
| Molecular Weight | 420.03348 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.03348 Da |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
| SMILES | COC1=C(C=C2C(=C1)C=NC=C2CC3=CC(=C(C=C3)N)I)OC |
| InChIKey | LQNDBQLPKNBMHR-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline
Property Insights of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline
The XLogP value of 3.9 indicates that 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline 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 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline?
The CAS number of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline is 108737-12-8.
What is the molecular formula of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline?
The molecular formula of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline is C18H17IN2O2.
What is the molecular weight of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline?
The molecular weight of 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline is 420.03348 g/mol.
Where can I buy 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline?
You can request a quote for 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline?
Yes, CoreyChem provides custom synthesis services for 6,7-Dimethoxy-4-(4'-amino-3'-iodobenzyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.