5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
TL;DR: 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one (CAS 1020251-97-1) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Also Known As: 5-tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one, 3-(TERT-BUTYL)-1-PHENYL-4-(2-THIENYLMETHYLENE)-2-PYRAZOLIN-5-ONE, 5-tert-butyl-2-phenyl-4-(2-thienylmethylene)pyrazol-3-one, (Z)-3-tert-butyl-1-phenyl-4-(thiophen-2-ylmethylene)-1H-pyrazol-5(4H)-one, 2-phenyl-5-tert-butyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Technical Specifications
| Molecular Formula | C18H18N2OS |
| Molecular Weight | 310.11398 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.11398 Da |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=CC=C3 |
| InChIKey | RLUWRGLWLRZYQC-UHFFFAOYSA-N |
Chemical Property Profile of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Property Insights of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
The XLogP value of 4.5 indicates that 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one. Following Lipinski's Rule of Five, 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The CAS number of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 1020251-97-1.
What is the molecular formula of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular formula of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is C18H18N2OS.
What is the molecular weight of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular weight of 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 310.11398 g/mol.
Where can I buy 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
You can request a quote for 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.