3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione (CAS 26675-95-6) is a chemical compound with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione, 10J-547S, 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, 3-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-(trifluoromethyl)-
| Molecular Formula | C7H7F3N2O2 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.5753 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04596 |
| Heavy Atoms | 14 |
| Complexity | 412.22372 |
Chemical Identifiers
| CAS Number | 26675-95-6 |
|---|---|
| SMILES | CCN1C(=O)C=C(NC1=O)C(F)(F)F |
Product Overview
3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione (CAS 26675-95-6), with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol. IUPAC: 3-ethyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.5753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 54.86 Ų, 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione has 1 hydrogen bond donor(s) and 2 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 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is 26675-95-6.
What is the molecular formula of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is C7H7F3N2O2.
What is the molecular weight of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is 208.05 g/mol.
Where can I buy 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.