(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
TL;DR: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone (CAS 371929-90-7) is a chemical compound with molecular formula C19H19N3O7 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone
Also Known As: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone, (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone
| Molecular Formula | C19H19N3O7 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 3.2797 |
| Topological Polar Surface Area | 125.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1223 |
| Heavy Atoms | 29 |
| Complexity | 973.28754 |
Chemical Identifiers
| CAS Number | 371929-90-7 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)OC |
Product Overview
(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone (CAS 371929-90-7), with molecular formula C19H19N3O7 and molecular weight 401.12 g/mol. IUPAC: (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
Property Insights of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
The XLogP value of 3.2797 indicates that (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone. Following Lipinski's Rule of Five, (6,7-dimethoxy-1-methyl-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-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
The CAS number of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is 371929-90-7.
What is the molecular formula of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
The molecular formula of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is C19H19N3O7.
What is the molecular weight of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
The molecular weight of (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone is 401.12 g/mol.
Where can I buy (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
You can request a quote for (6,7-dimethoxy-1-methyl-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-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.