3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid
TL;DR: 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid (CAS 108763-47-9) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid
Also Known As: 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid, 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic Acid, 2(1H)-Isoquinolinepropanoic acid, 3,4-dihydro-1,3-dioxo-, 4CH-004288, 3-(3,4-dihydro-1,3-dioxoisoquinolin-2(1H)-yl)propanoic acid
Technical Specifications
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.0688 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0688 Da |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)O |
| InChIKey | ORZUYKZVLRIJEB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid
Property Insights of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid 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
What is the CAS number of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid?
The CAS number of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid is 108763-47-9.
What is the molecular formula of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid?
The molecular formula of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid is C12H11NO4.
What is the molecular weight of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid?
The molecular weight of 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid is 233.0688 g/mol.
Where can I buy 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid?
You can request a quote for 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.