(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone
TL;DR: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone (CAS 883956-85-2) is a chemical compound with molecular formula C22H20N4O5 and molecular weight 420.14 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-imidazol-1-yl-3-nitrophenyl)ethanone
Also Known As: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone, (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-[4-(1H-imidazol-1-yl)-3-nitrophenyl]ethanone, (Z)-1-(4-(1H-imidazol-1-yl)-3-nitrophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone, 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitro-phenyl)ethanone
| Molecular Formula | C22H20N4O5 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.1672 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.14337 |
| Heavy Atoms | 31 |
| Complexity | 1184.8619 |
Chemical Identifiers
| CAS Number | 883956-85-2 |
|---|---|
| SMILES | COC1=C(C=C\2C(=C1)CCN/C2=C\C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])OC |
Product Overview
(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone (CAS 883956-85-2), with molecular formula C22H20N4O5 and molecular weight 420.14 g/mol. IUPAC: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone.
Chemical Property Profile of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone
Property Insights of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone
The XLogP value of 3.1672 indicates that (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.52 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-imidazol-1-yl-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-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-imidazol-1-yl-3-nitrophenyl)ethanone?
The CAS number of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone is 883956-85-2.
What is the molecular formula of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone?
The molecular formula of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone is C22H20N4O5.
What is the molecular weight of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone?
The molecular weight of (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone is 420.14 g/mol.
Where can I buy (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-3-nitrophenyl)ethanone?
You can request a quote for (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-imidazol-1-yl-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-imidazol-1-yl-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-imidazol-1-yl-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.