3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione (CAS 26675-96-7) is a chemical compound with molecular formula C8H9F3N2O2 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 3-propyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione, 10J-561S, 3-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-propyl-6-(trifluoromethyl)-
| Molecular Formula | C8H9F3N2O2 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.9654 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.06161 |
| Heavy Atoms | 15 |
| Complexity | 426.93018 |
Chemical Identifiers
| CAS Number | 26675-96-7 |
|---|---|
| SMILES | CCCN1C(=O)C=C(NC1=O)C(F)(F)F |
Product Overview
3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione (CAS 26675-96-7), with molecular formula C8H9F3N2O2 and molecular weight 222.06 g/mol. IUPAC: 3-propyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.9654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 54.86 Ų, 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-propyl-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-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is 26675-96-7.
What is the molecular formula of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is C8H9F3N2O2.
What is the molecular weight of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is 222.06 g/mol.
Where can I buy 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 3-propyl-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-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.