(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone
TL;DR: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone (CAS 394648-87-4) 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-(2-nitrophenyl)ethanone
Also Known As: BAS 00329604, BIM-0024388.P001, AB00089282-01, (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone, (2Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(2-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 | 853.1953 |
Chemical Identifiers
| CAS Number | 394648-87-4 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=CC=C3[N+](=O)[O-])/N1)C |
Product Overview
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone (CAS 394648-87-4), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone.
Chemical Property Profile of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone
Property Insights of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone
The XLogP value of 3.7429 indicates that (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone 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 (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone. Following Lipinski's Rule of Five, (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone 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 (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone?
The CAS number of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone is 394648-87-4.
What is the molecular formula of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone?
The molecular formula of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone is C19H18N2O3.
What is the molecular weight of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone?
The molecular weight of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone is 322.13 g/mol.
Where can I buy (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone?
You can request a quote for (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-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-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.