5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 304869-67-8) is a chemical compound with molecular formula C12H10N4O7 and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dinitrophenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: J3.632.520H, 1,3-Dimethyl-5-(2,4-dinitrophenyl)barbituric acid, 5-(2,4-dinitrophenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C12H10N4O7 |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 0.637 |
| Topological Polar Surface Area | 143.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.05496 |
| Heavy Atoms | 23 |
| Complexity | 735.7761 |
Chemical Identifiers
| CAS Number | 304869-67-8 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 304869-67-8), with molecular formula C12H10N4O7 and molecular weight 322.05 g/mol. IUPAC: 5-(2,4-dinitrophenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 143.97 Ų indicates high polarity, suggesting 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 7 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-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 304869-67-8.
What is the molecular formula of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C12H10N4O7.
What is the molecular weight of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 322.05 g/mol.
Where can I buy 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-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 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dinitrophenyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.