![2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine structure](/static/products/4780/478081-00-4.webp)
2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
TL;DR: 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (CAS 478081-00-4) is a chemical compound with molecular formula C23H15F3N2O2S2 and molecular weight 472.0527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(benzenesulfonyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
Also Known As: 8N-597S, 2-phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine, 5-(benzenesulfonyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine, 5-(benzenesulfonyl)-2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine, 5-(benzenesulfonyl)-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine
Technical Specifications
| Molecular Formula | C23H15F3N2O2S2 |
| Molecular Weight | 472.0527 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.0527 Da |
| Heavy Atoms | 32 |
| Complexity | 701.0 |
| SMILES | C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=CC(=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4 |
| InChIKey | BFSVYEWCFWYQPV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
Property Insights of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
The XLogP value of 5.9 indicates that 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine. Following Lipinski's Rule of Five, 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine?
The CAS number of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine is 478081-00-4.
What is the molecular formula of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine?
The molecular formula of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine is C23H15F3N2O2S2.
What is the molecular weight of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine?
The molecular weight of 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine is 472.0527 g/mol.
Where can I buy 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine?
You can request a quote for 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-5-(phenylsulfonyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.