(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
TL;DR: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone (CAS 879461-06-0) is a chemical compound with molecular formula C18H17N3O7 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone
Also Known As: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone, (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone
| Molecular Formula | C18H17N3O7 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 2.7187 |
| Topological Polar Surface Area | 125.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.10666 |
| Heavy Atoms | 28 |
| Complexity | 941.64185 |
Chemical Identifiers
| CAS Number | 879461-06-0 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC |
Product Overview
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone (CAS 879461-06-0), with molecular formula C18H17N3O7 and molecular weight 387.11 g/mol. IUPAC: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
Property Insights of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
The XLogP value of 2.7187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone. The TPSA of 125.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone. Following Lipinski's Rule of Five, (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone has 0 hydrogen bond donor(s) and 7 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 (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
The CAS number of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is 879461-06-0.
What is the molecular formula of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
The molecular formula of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is C18H17N3O7.
What is the molecular weight of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
The molecular weight of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is 387.11 g/mol.
Where can I buy (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
You can request a quote for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.