![1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione structure](/static/products/872/872848-84-5.png)
1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione
TL;DR: 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione (CAS 872848-84-5) is a chemical compound with molecular formula C25H25N3O3 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
Also Known As: 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-indol-3-yl)ethane-1,2-dione, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indol-3-yl]ethanone
| Molecular Formula | C25H25N3O3 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 3.0313 |
| Topological Polar Surface Area | 62.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1896 |
| Heavy Atoms | 31 |
| Complexity | 1173.7239 |
Chemical Identifiers
| CAS Number | 872848-84-5 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione (CAS 872848-84-5), with molecular formula C25H25N3O3 and molecular weight 415.19 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.
Chemical Property Profile of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione
Property Insights of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione
The XLogP value of 3.0313 indicates that 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione. Following Lipinski's Rule of Five, 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-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
Frequently Asked Questions
What is the CAS number of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione?
The CAS number of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione is 872848-84-5.
What is the molecular formula of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione?
The molecular formula of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione is C25H25N3O3.
What is the molecular weight of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione?
The molecular weight of 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione is 415.19 g/mol.
Where can I buy 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione?
You can request a quote for 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.