Isoquinoline-1,3,4-trione, 2-ethyl-
TL;DR: Isoquinoline-1,3,4-trione, 2-ethyl- (CAS 20863-88-1) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylisoquinoline-1,3,4-trione
Also Known As: 2-ethylisoquinoline-1,3,4-trione, Isoquinoline-1,3,4-trione, 2-ethyl-, 2-Ethyl-isoquinoline-1,3,4-trione, 2-ethyl-1,3,4(2H)-isoquinolinetrione, 2-Ethylisoquinoline-1,3,4(2H)-trione
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 20863-88-1 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2C(=O)C1=O |
| InChIKey | OCXHLPQNMWXOKW-UHFFFAOYSA-N |
Product Overview
Isoquinoline-1,3,4-trione, 2-ethyl- (CAS 20863-88-1), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 2-ethylisoquinoline-1,3,4-trione.
Chemical Property Profile of Isoquinoline-1,3,4-trione, 2-ethyl-
Property Insights of Isoquinoline-1,3,4-trione, 2-ethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-1,3,4-trione, 2-ethyl-. With a topological polar surface area (TPSA) of 54.5 Ų, Isoquinoline-1,3,4-trione, 2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-1,3,4-trione, 2-ethyl- 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
Frequently Asked Questions
What is the CAS number of Isoquinoline-1,3,4-trione, 2-ethyl-?
The CAS number of Isoquinoline-1,3,4-trione, 2-ethyl- is 20863-88-1.
What is the molecular formula of Isoquinoline-1,3,4-trione, 2-ethyl-?
The molecular formula of Isoquinoline-1,3,4-trione, 2-ethyl- is C11H9NO3.
What is the molecular weight of Isoquinoline-1,3,4-trione, 2-ethyl-?
The molecular weight of Isoquinoline-1,3,4-trione, 2-ethyl- is 203.06 g/mol.
Where can I buy Isoquinoline-1,3,4-trione, 2-ethyl-?
You can request a quote for Isoquinoline-1,3,4-trione, 2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-1,3,4-trione, 2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-1,3,4-trione, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.