Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-
TL;DR: Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- (CAS 394648-89-6) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-nitrophenyl)ethanone
Also Known As: Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-, (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-nitrophenyl)ethanone, (2Z)-2-(3,3-Dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)-1-(4-nitrophenyl)ethanone #, (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(4-nitrophenyl)ethanone
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.7429 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 835.9453 |
Chemical Identifiers
| CAS Number | 394648-89-6 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N1)C |
Product Overview
Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- (CAS 394648-89-6), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-
Property Insights of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-
The XLogP value of 3.7429 indicates that Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 4 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 Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-?
The CAS number of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- is 394648-89-6.
What is the molecular formula of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-?
The molecular formula of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- is C19H18N2O3.
What is the molecular weight of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-?
The molecular weight of Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- is 322.13 g/mol.
Where can I buy Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-?
You can request a quote for Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(1,2,3,4-tetrahydro-3,3-dimethyl-1-isoquinolinylidene)-1-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.