1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714235-27-5) is a chemical compound with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-Dimethyl-5-[2-(4-nitro-benzyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]-pyrimidine-2,4,6-trione, 1,3-dimethyl-5-[2-(4-nitrobenzyl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H18N4O6 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 1.9585 |
| Topological Polar Surface Area | 121.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.12262 |
| Heavy Atoms | 31 |
| Complexity | 1104.9448 |
Chemical Identifiers
| CAS Number | 714235-27-5 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C2C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714235-27-5), with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol. IUPAC: 1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.9585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 121.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 6 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 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is 714235-27-5.
What is the molecular formula of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H18N4O6.
What is the molecular weight of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione is 422.12 g/mol.
Where can I buy 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-(2-(4-nitrobenzyl)-3-oxoisoindolin-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.