(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone
TL;DR: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone (CAS 892618-05-2) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone
Also Known As: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone, (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone, (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone, 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitro-phenyl)ethanone
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 2.9901 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 967.40857 |
Chemical Identifiers
| CAS Number | 892618-05-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C\2/C3=CC(=C(C=C3CCN2)OC)OC)[N+](=O)[O-] |
Product Overview
(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone (CAS 892618-05-2), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone.
Chemical Property Profile of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone
Property Insights of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone
The XLogP value of 2.9901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone has 1 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 (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone?
The CAS number of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone is 892618-05-2.
What is the molecular formula of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone?
The molecular formula of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone is C20H20N2O6.
What is the molecular weight of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone?
The molecular weight of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone is 384.13 g/mol.
Where can I buy (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone?
You can request a quote for (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-methoxy-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.