![2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid structure](/static/products/6851/685109-28-8.webp)
2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid
TL;DR: 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid (CAS 685109-28-8) is a chemical compound with molecular formula C13H9F3N2O3S and molecular weight 330.0286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid
Also Known As: 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid, 2-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid, 6T-0202, 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid, 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}aceticacid
Technical Specifications
| Molecular Formula | C13H9F3N2O3S |
| Molecular Weight | 330.0286 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0286 Da |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCC(=O)O)C(F)(F)F |
| InChIKey | DAJKMLLUNJAJKW-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid
Property Insights of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid?
The CAS number of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid is 685109-28-8.
What is the molecular formula of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid?
The molecular formula of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid is C13H9F3N2O3S.
What is the molecular weight of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid?
The molecular weight of 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid is 330.0286 g/mol.
Where can I buy 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid?
You can request a quote for 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.