2-Ethylisoquinoline-1,3(2H,4H)-dione
TL;DR: 2-Ethylisoquinoline-1,3(2H,4H)-dione (CAS 20863-80-3) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4H-isoquinoline-1,3-dione
Also Known As: 2-Ethylisoquinoline-1,3(2H,4H)-dione, 2-ethyl-4H-isoquinoline-1,3-dione, 2-ethyl-2,4-dihydroisoquinoline-1,3-dione, J1.123.534D, 2-Ethyl-1,2,3,4-tetrahydro-isochinolin-1,3-dion
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.2314 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 398.02893 |
Chemical Identifiers
| CAS Number | 20863-80-3 |
|---|---|
| SMILES | CCN1C(=O)CC2=CC=CC=C2C1=O |
Product Overview
2-Ethylisoquinoline-1,3(2H,4H)-dione (CAS 20863-80-3), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-ethyl-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-Ethylisoquinoline-1,3(2H,4H)-dione
Property Insights of 2-Ethylisoquinoline-1,3(2H,4H)-dione
The XLogP value of 1.2314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylisoquinoline-1,3(2H,4H)-dione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-Ethylisoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylisoquinoline-1,3(2H,4H)-dione has 0 hydrogen bond donor(s) and 2 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 2-Ethylisoquinoline-1,3(2H,4H)-dione?
The CAS number of 2-Ethylisoquinoline-1,3(2H,4H)-dione is 20863-80-3.
What is the molecular formula of 2-Ethylisoquinoline-1,3(2H,4H)-dione?
The molecular formula of 2-Ethylisoquinoline-1,3(2H,4H)-dione is C11H11NO2.
What is the molecular weight of 2-Ethylisoquinoline-1,3(2H,4H)-dione?
The molecular weight of 2-Ethylisoquinoline-1,3(2H,4H)-dione is 189.08 g/mol.
Where can I buy 2-Ethylisoquinoline-1,3(2H,4H)-dione?
You can request a quote for 2-Ethylisoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylisoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylisoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.