![2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione structure](/static/products/3966/39662-65-2.webp)
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
TL;DR: 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione (CAS 39662-65-2) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
Also Known As: 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione, 2-[2-(1H-indol-3-yl)ethyl]-1,3(2H,4H)-isoquinolinedione, J1.279.915B, 8T-0839, 2-[2-(1H-indol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 2.9355 |
| Topological Polar Surface Area | 53.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 910.3834 |
Chemical Identifiers
| CAS Number | 39662-65-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CNC4=CC=CC=C43 |
Product Overview
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione (CAS 39662-65-2), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
Property Insights of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
The XLogP value of 2.9355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione. With a topological polar surface area (TPSA) of 53.17 Ų, 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione has 1 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-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
The CAS number of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione is 39662-65-2.
What is the molecular formula of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
The molecular formula of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione is C19H16N2O2.
What is the molecular weight of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
The molecular weight of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione is 304.12 g/mol.
Where can I buy 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
You can request a quote for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.