4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide
TL;DR: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide (CAS 749877-82-5) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide
Also Known As: AB00441995-02, 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide, 4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzamide
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 2.2736 |
| Topological Polar Surface Area | 107.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 881.37054 |
Chemical Identifiers
| CAS Number | 749877-82-5 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC |
Product Overview
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide (CAS 749877-82-5), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide.
Chemical Property Profile of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide
Property Insights of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide
The XLogP value of 2.2736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide. The TPSA of 107.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide has 1 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 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide?
The CAS number of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide is 749877-82-5.
What is the molecular formula of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide?
The molecular formula of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide is C18H19N3O5.
What is the molecular weight of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide?
The molecular weight of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide is 357.13 g/mol.
Where can I buy 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide?
You can request a quote for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.