2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one
TL;DR: 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one (CAS 23434-75-5) is a chemical compound with molecular formula C22H18BrNO5 and molecular weight 455.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one
Also Known As: 2-bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one, Indone, 2-bromo-3-(6,7-dimethoxy-1-isoquinolyl)-5,6-dimethoxy-, 1H-Inden-1-one, 2-bromo-3-(6,7-dimethoxy-1-isoquinolinyl)-5,6-dimethoxy-, 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxy-1H-inden-1-one, 2-Bromo-3-(6,7-dimethoxy-1-isoquinolinyl)-5,6-dimethoxy-1H-inden-1-one #
| Molecular Formula | C22H18BrNO5 |
|---|---|
| Molecular Weight | 455.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.03683 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 23434-75-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2C3=C(C(=O)C4=CC(=C(C=C43)OC)OC)Br)OC |
| InChIKey | MXMPHDJNVCCNDX-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one (CAS 23434-75-5), with molecular formula C22H18BrNO5 and molecular weight 455.04 g/mol. IUPAC: 2-bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one.
Chemical Property Profile of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one
Property Insights of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one
The XLogP value of 4.1 indicates that 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one. Following Lipinski's Rule of Five, 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one?
The CAS number of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one is 23434-75-5.
What is the molecular formula of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one?
The molecular formula of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one is C22H18BrNO5.
What is the molecular weight of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one?
The molecular weight of 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one is 455.04 g/mol.
Where can I buy 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one?
You can request a quote for 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-(6,7-dimethoxyisoquinolin-1-yl)-5,6-dimethoxyinden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.