2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione
TL;DR: 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione (CAS 396101-47-6) is a chemical compound with molecular formula C29H25N3O4 and molecular weight 479.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
Also Known As: 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione, 2-[[2-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
| Molecular Formula | C29H25N3O4 |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 4.2548 |
| Topological Polar Surface Area | 82.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.1845 |
| Heavy Atoms | 36 |
| Complexity | 1486.9951 |
Chemical Identifiers
| CAS Number | 396101-47-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O |
Product Overview
2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione (CAS 396101-47-6), with molecular formula C29H25N3O4 and molecular weight 479.18 g/mol. IUPAC: 2-[[2-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione
Property Insights of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione
The XLogP value of 4.2548 indicates that 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 5 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-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
The CAS number of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is 396101-47-6.
What is the molecular formula of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
The molecular formula of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is C29H25N3O4.
What is the molecular weight of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
The molecular weight of 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione is 479.18 g/mol.
Where can I buy 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
You can request a quote for 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-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-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.