3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
TL;DR: 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone (CAS 332116-65-1) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
Also Known As: BAS 01129175, 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone, 2-{2-nitro-4,5-dimethoxybenzoyl}-1,2,3,4-tetrahydroisoquinoline, 4,5-dimethoxy-2-nitrophenyl 2-1,2,3,4-tetrahydroisoquinolyl ketone, 2-(4,5-DIMETHOXY-2-NITROBENZOYL)-3,4-DIHYDRO-1H-ISOQUINOLINE
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.8105 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 834.2113 |
Chemical Identifiers
| CAS Number | 332116-65-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])OC |
Product Overview
3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone (CAS 332116-65-1), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone.
Chemical Property Profile of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
Property Insights of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
The XLogP value of 2.8105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone. Following Lipinski's Rule of Five, 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone 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 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The CAS number of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone is 332116-65-1.
What is the molecular formula of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The molecular formula of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone is C18H18N2O5.
What is the molecular weight of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The molecular weight of 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone is 342.12 g/mol.
Where can I buy 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
You can request a quote for 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethoxy-2-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.