2-o-Tolyl-4H-isoquinoline-1,3-dione
TL;DR: 2-o-Tolyl-4H-isoquinoline-1,3-dione (CAS 101273-82-9) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylphenyl)-4H-isoquinoline-1,3-dione
Also Known As: 2-o-Tolyl-4H-isoquinoline-1,3-dione, 2-(2-methylphenyl)-4H-isoquinoline-1,3-dione, 2-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione, 2-(o-Tolyl)isoquinoline-1,3(2H,4H)-dione, 1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)-
Technical Specifications
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.09464 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O |
| InChIKey | REPHEHVXUKWHFV-UHFFFAOYSA-N |
Chemical Property Profile of 2-o-Tolyl-4H-isoquinoline-1,3-dione
Property Insights of 2-o-Tolyl-4H-isoquinoline-1,3-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-o-Tolyl-4H-isoquinoline-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 2-o-Tolyl-4H-isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-o-Tolyl-4H-isoquinoline-1,3-dione 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
What is the CAS number of 2-o-Tolyl-4H-isoquinoline-1,3-dione?
The CAS number of 2-o-Tolyl-4H-isoquinoline-1,3-dione is 101273-82-9.
What is the molecular formula of 2-o-Tolyl-4H-isoquinoline-1,3-dione?
The molecular formula of 2-o-Tolyl-4H-isoquinoline-1,3-dione is C16H13NO2.
What is the molecular weight of 2-o-Tolyl-4H-isoquinoline-1,3-dione?
The molecular weight of 2-o-Tolyl-4H-isoquinoline-1,3-dione is 251.09464 g/mol.
Where can I buy 2-o-Tolyl-4H-isoquinoline-1,3-dione?
You can request a quote for 2-o-Tolyl-4H-isoquinoline-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-o-Tolyl-4H-isoquinoline-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-o-Tolyl-4H-isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.