![2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione structure](/static/products/4801/4801-20-1.webp)
2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
TL;DR: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione (CAS 4801-20-1) is a chemical compound with molecular formula C29H23N5O2 and molecular weight 473.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
Also Known As: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione, 2-{[2-(8-Methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C29H23N5O2 |
|---|---|
| Molecular Weight | 473.19 g/mol |
| LogP | 4.81952 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.18518 |
| Heavy Atoms | 36 |
| Complexity | 1670.1483 |
Chemical Identifiers
| CAS Number | 4801-20-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4CN6C(=O)C7=CC=CC=C7C6=O |
Product Overview
2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione (CAS 4801-20-1), with molecular formula C29H23N5O2 and molecular weight 473.19 g/mol. IUPAC: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
Property Insights of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
The XLogP value of 4.81952 indicates that 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-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-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione?
The CAS number of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione is 4801-20-1.
What is the molecular formula of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione?
The molecular formula of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione is C29H23N5O2.
What is the molecular weight of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione?
The molecular weight of 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione is 473.19 g/mol.
Where can I buy 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione?
You can request a quote for 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-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-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.