3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-
TL;DR: 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- (CAS 78893-39-7) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(dimethylaminomethylidene)-6,7-dimethoxy-1,2-dihydroisoquinolin-3-one
Also Known As: 4-Dimethylaminomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-one, 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-, 1,4-Dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-3(2H)-isoquinolinone, (4E)-4-(dimethylaminomethylidene)-6,7-dimethoxy-1,2-dihydroisoquinolin-3-one, RefChem:1065443
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 1.2361 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 535.7378 |
Chemical Identifiers
| CAS Number | 78893-39-7 |
|---|---|
| SMILES | CN(C)/C=C/1\C2=CC(=C(C=C2CNC1=O)OC)OC |
Product Overview
3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- (CAS 78893-39-7), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: (4E)-4-(dimethylaminomethylidene)-6,7-dimethoxy-1,2-dihydroisoquinolin-3-one.
Chemical Property Profile of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-
Property Insights of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-
The XLogP value of 1.2361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-. With a topological polar surface area (TPSA) of 50.8 Ų, 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- 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 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-?
The CAS number of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- is 78893-39-7.
What is the molecular formula of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-?
The molecular formula of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- is C14H18N2O3.
What is the molecular weight of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-?
The molecular weight of 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- is 262.13 g/mol.
Where can I buy 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-?
You can request a quote for 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.