3F-333S
TL;DR: 3F-333S (CAS 158712-45-9) is a chemical compound with molecular formula C19H15ClF3N3O2S and molecular weight 441.05255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 3F-333S, 5-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Technical Specifications
| Molecular Formula | C19H15ClF3N3O2S |
| Molecular Weight | 441.05255 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.05255 Da |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)Cl |
| InChIKey | SYWLDITWBGQCPE-UHFFFAOYSA-N |
Chemical Property Profile of 3F-333S
Property Insights of 3F-333S
The XLogP value of 5.0 indicates that 3F-333S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3F-333S. Following Lipinski's Rule of Five, 3F-333S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3F-333S?
The CAS number of 3F-333S is 158712-45-9.
What is the molecular formula of 3F-333S?
The molecular formula of 3F-333S is C19H15ClF3N3O2S.
What is the molecular weight of 3F-333S?
The molecular weight of 3F-333S is 441.05255 g/mol.
Where can I buy 3F-333S?
You can request a quote for 3F-333S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3F-333S?
Yes, CoreyChem provides custom synthesis services for 3F-333S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.