3-Benzylquinoline-2,4(1H,3H)-dione
TL;DR: 3-Benzylquinoline-2,4(1H,3H)-dione (CAS 146764-88-7) 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.
3-benzyl-1H-quinoline-2,4-dione
Also Known As: 3-benzyl-1H-quinoline-2,4-dione, 3-Benzylquinoline-2,4(1H,3H)-dione
Technical Specifications
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.09464 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
| SMILES | C1=CC=C(C=C1)CC2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | QLRQBHGWLRZFJF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzylquinoline-2,4(1H,3H)-dione
Property Insights of 3-Benzylquinoline-2,4(1H,3H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylquinoline-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 3-Benzylquinoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylquinoline-2,4(1H,3H)-dione 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
What is the CAS number of 3-Benzylquinoline-2,4(1H,3H)-dione?
The CAS number of 3-Benzylquinoline-2,4(1H,3H)-dione is 146764-88-7.
What is the molecular formula of 3-Benzylquinoline-2,4(1H,3H)-dione?
The molecular formula of 3-Benzylquinoline-2,4(1H,3H)-dione is C16H13NO2.
What is the molecular weight of 3-Benzylquinoline-2,4(1H,3H)-dione?
The molecular weight of 3-Benzylquinoline-2,4(1H,3H)-dione is 251.09464 g/mol.
Where can I buy 3-Benzylquinoline-2,4(1H,3H)-dione?
You can request a quote for 3-Benzylquinoline-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzylquinoline-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for 3-Benzylquinoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.