Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate
TL;DR: Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate (CAS 130872-48-9) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(1,3-dioxo-4H-isoquinolin-2-yl)benzoate
Also Known As: ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate, ethyl 4-(1,3-dioxo-4H-isoquinolin-2-yl)benzoate, IDI1_007834, NCI60_008654, 4-(1,3-Dioxo-3,4-dihydro-1H-isoquinolin-2-yl)-benzoic acid ethyl ester
Technical Specifications
| Molecular Formula | C18H15NO4 |
| Molecular Weight | 309.1001 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1001 Da |
| Heavy Atoms | 23 |
| Complexity | 481.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O |
| InChIKey | WODLXPUSDXNVEF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate
Property Insights of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate has 0 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 Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate?
The CAS number of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate is 130872-48-9.
What is the molecular formula of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate?
The molecular formula of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate is C18H15NO4.
What is the molecular weight of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate?
The molecular weight of Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate is 309.1001 g/mol.
Where can I buy Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate?
You can request a quote for Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.