(4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
TL;DR: (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one (CAS 1164482-29-4) is a chemical compound with molecular formula C15H11BrN2OS and molecular weight 345.97754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Also Known As: BAS 00284549, (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one, 2-(4-Bromo-phenyl)-5-methyl-4-thiophen-2-ylmethylene-2,4-dihydro-pyrazol-3-one, 2-(4-bromophenyl)-5-methyl-4-(2-thienylmethylene)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(4-bromophenyl)-3-methyl-4-(thiophen-2-ylmethylene)-1H-pyrazol-5(4H)-one
Technical Specifications
| Molecular Formula | C15H11BrN2OS |
| Molecular Weight | 345.97754 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.97754 Da |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=C(C=C3)Br |
| InChIKey | NEAYIVUMWOTMPG-NTEUORMPSA-N |
Chemical Property Profile of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Property Insights of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
The XLogP value of 3.8 indicates that (4E)-2-(4-bromophenyl)-5-methyl-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 (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(4-bromophenyl)-5-methyl-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 (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The CAS number of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 1164482-29-4.
What is the molecular formula of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular formula of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is C15H11BrN2OS.
What is the molecular weight of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular weight of (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 345.97754 g/mol.
Where can I buy (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
You can request a quote for (4E)-2-(4-bromophenyl)-5-methyl-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 (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for (4E)-2-(4-bromophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.