![4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate structure](/static/products/433/433955-50-1.webp)
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate
TL;DR: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate (CAS 433955-50-1) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] benzoate
Also Known As: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate, AH-487/41088803, 4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)phenyl benzoate, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] benzoate
Technical Specifications
| Molecular Formula | C22H20N4O4 |
| Molecular Weight | 404.14847 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14847 Da |
| Heavy Atoms | 30 |
| Complexity | 749.0 |
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(NNC4=O)C |
| InChIKey | DUECNVLLKAXZOT-UHFFFAOYSA-N |
Chemical Property Profile of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate
Property Insights of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate
The XLogP value of 3.1 indicates that 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate. Following Lipinski's Rule of Five, 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate?
The CAS number of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate is 433955-50-1.
What is the molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate?
The molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate is C22H20N4O4.
What is the molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate?
The molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate is 404.14847 g/mol.
Where can I buy 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate?
You can request a quote for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate?
Yes, CoreyChem provides custom synthesis services for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.