1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-
TL;DR: 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- (CAS 31460-31-8) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylphenyl)-4H-isoquinoline-1,3-dione
Also Known As: n-(2,6-dimethylphenyl)-homophthalimide, 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-, 2-(2,6-Dimethylphenyl)-1,3(2H,4H)-isoquinolinedione, 2-(2,6-dimethylphenyl)-4H-isoquinoline-1,3-dione, 2-(2,6-Dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 31460-31-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=O)CC3=CC=CC=C3C2=O |
| InChIKey | AAWIKXLXTWDRAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- (CAS 31460-31-8), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: 2-(2,6-dimethylphenyl)-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-
Property Insights of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-
The XLogP value of 3.1 indicates that 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- has 0 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 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-?
The CAS number of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- is 31460-31-8.
What is the molecular formula of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-?
The molecular formula of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- is C17H15NO2.
What is the molecular weight of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-?
The molecular weight of 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- is 265.11 g/mol.
Where can I buy 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-?
You can request a quote for 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.