4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione
TL;DR: 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione (CAS 5488-36-8) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylisoquinoline-1,3-dione
Also Known As: 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione, 4,4-dimethylisoquinoline-1,3-dione, 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione, 4,4-dimethylhomophthalimide, 4,4-Dimethylisoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 5488-36-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(=O)NC1=O)C |
| InChIKey | VSRVOIDBBCKMTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione (CAS 5488-36-8), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 4,4-dimethylisoquinoline-1,3-dione.
Chemical Property Profile of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione
Property Insights of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione. With a topological polar surface area (TPSA) of 46.2 Ų, 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione has 1 hydrogen bond donor(s) and 2 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 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione?
The CAS number of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione is 5488-36-8.
What is the molecular formula of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione?
The molecular formula of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione is C11H11NO2.
What is the molecular weight of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione?
The molecular weight of 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione is 189.08 g/mol.
Where can I buy 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione?
You can request a quote for 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.