5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione (CAS 59694-29-0) is a chemical compound with molecular formula C7H7F3N2O3 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
Also Known As: C(OCC(F)(F)F)c1cnc(O)nc1O, 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 5-[(2,2,2-trifluoroethoxy)methyl]-, 2,3H)-Pyrimidinedione, 5-[(2,2,2-trifluoroethoxy)methyl]-, 5-[(2,2,2-Trifluoroethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C7H7F3N2O3 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.04088 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 59694-29-0 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)COCC(F)(F)F |
| InChIKey | GJTHMQLEMBQMBP-UHFFFAOYSA-N |
Product Overview
5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione (CAS 59694-29-0), with molecular formula C7H7F3N2O3 and molecular weight 224.04 g/mol. IUPAC: 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
The XLogP value of -0.8 indicates that 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione has 2 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 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione is 59694-29-0.
What is the molecular formula of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione is C7H7F3N2O3.
What is the molecular weight of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione is 224.04 g/mol.
Where can I buy 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-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-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.