1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione
TL;DR: 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione (CAS 79023-53-3) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dimethyl-1-methylidene-4H-isoquinolin-2-yl)-4-phenylbutane-1,2,4-trione
Also Known As: 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione, 1-(3,3-dimethyl-1-methylene(2-2,3,4-trihydroisoquinolyl))-4-phenylbutane-1,2,4 -trione, 1-(3,3-dimethyl-1-methylidene-4H-isoquinolin-2-yl)-4-phenyl-butane-1,2,4-trione, 1-(3,3-dimethyl-1-methylidene-4H-isoquinolin-2-yl)-4-phenylbutane-1,2,4-trione, 1-(3,3-Dimethyl-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)-4-phenylbutane-1,2,4-trione
| Molecular Formula | C22H21NO3 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 3.6627 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.15213 |
| Heavy Atoms | 26 |
| Complexity | 896.6132 |
Chemical Identifiers
| CAS Number | 79023-53-3 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=C)N1C(=O)C(=O)CC(=O)C3=CC=CC=C3)C |
Product Overview
1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione (CAS 79023-53-3), with molecular formula C22H21NO3 and molecular weight 347.15 g/mol. IUPAC: 1-(3,3-dimethyl-1-methylidene-4H-isoquinolin-2-yl)-4-phenylbutane-1,2,4-trione.
Chemical Property Profile of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione
Property Insights of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione
The XLogP value of 3.6627 indicates that 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione has 0 hydrogen bond donor(s) and 3 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 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione?
The CAS number of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione is 79023-53-3.
What is the molecular formula of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione?
The molecular formula of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione is C22H21NO3.
What is the molecular weight of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione?
The molecular weight of 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione is 347.15 g/mol.
Where can I buy 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione?
You can request a quote for 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.