5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CAS 849916-22-9) is a chemical compound with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-(2-benzyl-3-oxoisoindolin-1-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H19N3O4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.13754 |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 849916-22-9 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 |
| InChIKey | XKFUDYWEERAZCC-UHFFFAOYSA-N |
Product Overview
5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CAS 849916-22-9), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has 0 hydrogen bond donor(s) and 4 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 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is 849916-22-9.
What is the molecular formula of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C21H19N3O4.
What is the molecular weight of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is 377.14 g/mol.
Where can I buy 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-benzyl-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.