![4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate structure](/static/products/433/433233-10-4.png)
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate
TL;DR: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate (CAS 433233-10-4) is a chemical compound with molecular formula C22H19FN4O4 and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 4-fluorobenzoate
Also Known As: BAS 03602719, 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate, 4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)phenyl 4-fluorobenzoate, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 4-fluorobenzoate
| Molecular Formula | C22H19FN4O4 |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 2.87474 |
| Topological Polar Surface Area | 123.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.13904 |
| Heavy Atoms | 31 |
| Complexity | 1289.6614 |
Chemical Identifiers
| CAS Number | 433233-10-4 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F)C4=C(NNC4=O)C |
Product Overview
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate (CAS 433233-10-4), with molecular formula C22H19FN4O4 and molecular weight 422.14 g/mol. IUPAC: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 4-fluorobenzoate.
Chemical Property Profile of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate
Property Insights of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate
The XLogP value of 2.87474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate. The TPSA of 123.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate?
The CAS number of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate is 433233-10-4.
What is the molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate?
The molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate is C22H19FN4O4.
What is the molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate?
The molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate is 422.14 g/mol.
Where can I buy 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate?
You can request a quote for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.