2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline (CAS 66040-42-4) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Also Known As: Hexapradol, 1-[6,7-dimethoxy-1-3,4-dihydro-1h-isoquinolin-2-yl]-ethanone, 1-[6,7-DIMETHOXY-1- -3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]-ETHANONE, 2-acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline, 1-[6,7-Dimethoxy-1-(4-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 3.106 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 847.7531 |
Chemical Identifiers
| CAS Number | 66040-42-4 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=C(C=C3)[N+](=O)[O-])OC)OC |
Product Overview
2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline (CAS 66040-42-4), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: 1-[6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
Chemical Property Profile of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.106 indicates that 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 5 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-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline is 66040-42-4.
What is the molecular formula of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline is C19H20N2O5.
What is the molecular weight of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline is 356.14 g/mol.
Where can I buy 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.