IFLab1_004975
TL;DR: IFLab1_004975 (CAS 1212141-17-7) is a chemical compound with molecular formula C20H15F4N3O3S2 and molecular weight 485.0491 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-cyano-4-(4-fluorophenyl)-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: IFLab1_004975, 2-((3-cyano-4-(4-fluorophenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, F1159-0077, 2-[[5-cyano-4-(4-fluorophenyl)-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, 2-{[3-cyano-4-(4-fluorophenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Technical Specifications
| Molecular Formula | C20H15F4N3O3S2 |
| Molecular Weight | 485.0491 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.0491 Da |
| Heavy Atoms | 32 |
| Complexity | 836.0 |
| SMILES | C1=CSC(=C1)C(=O)C2C(C(=C(NC2(C(F)(F)F)O)SCC(=O)N)C#N)C3=CC=C(C=C3)F |
| InChIKey | OWQQBDQLJKYDHI-UHFFFAOYSA-N |
Chemical Property Profile of IFLab1_004975
Property Insights of IFLab1_004975
The XLogP value of 3.8 indicates that IFLab1_004975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting IFLab1_004975 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IFLab1_004975 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of IFLab1_004975?
The CAS number of IFLab1_004975 is 1212141-17-7.
What is the molecular formula of IFLab1_004975?
The molecular formula of IFLab1_004975 is C20H15F4N3O3S2.
What is the molecular weight of IFLab1_004975?
The molecular weight of IFLab1_004975 is 485.0491 g/mol.
Where can I buy IFLab1_004975?
You can request a quote for IFLab1_004975 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IFLab1_004975?
Yes, CoreyChem provides custom synthesis services for IFLab1_004975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.