2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
TL;DR: 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione (CAS 130872-49-0) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
Also Known As: 2-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione, 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione, 2-(4-Ethoxy-phenyl)-4H-isoquinoline-1,3-dione, 2-(4-Ethoxyphenyl)isoquinoline-1,3(2H,4H)-dione, G33577
Technical Specifications
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.1052 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 Da |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O |
| InChIKey | WOGLDUQNMIXJCG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
Property Insights of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione has 0 hydrogen bond donor(s) and 3 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-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione?
The CAS number of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione is 130872-49-0.
What is the molecular formula of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione?
The molecular formula of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione is C17H15NO3.
What is the molecular weight of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione?
The molecular weight of 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione is 281.1052 g/mol.
Where can I buy 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione?
You can request a quote for 2-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.