5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
TL;DR: 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 652-43-7) is a chemical compound with molecular formula C5H2F3N3O4 and molecular weight 225.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-nitro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, 5-Nitro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 5-nitro-6-trifluoromethyl-1H-pyrimidine-2,4-dione, 958-728-8
| Molecular Formula | C5H2F3N3O4 |
|---|---|
| Molecular Weight | 225.00 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.99974 |
| Heavy Atoms | 15 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 652-43-7 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | BOZXEOUYOAGQOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 652-43-7), with molecular formula C5H2F3N3O4 and molecular weight 225.00 g/mol. IUPAC: 5-nitro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Property Insights of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione has 2 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-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The CAS number of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is 652-43-7.
What is the molecular formula of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The molecular formula of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is C5H2F3N3O4.
What is the molecular weight of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The molecular weight of 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is 225.00 g/mol.
Where can I buy 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
You can request a quote for 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.