![4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate structure](/static/products/900/900099-53-8.png)
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate
TL;DR: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate (CAS 900099-53-8) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.16 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] 2-methylbenzoate
Also Known As: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate, 4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)phenyl 2-methylbenzoate, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 2-methylbenzoate
| Molecular Formula | C23H22N4O4 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.04406 |
| Topological Polar Surface Area | 123.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1641 |
| Heavy Atoms | 31 |
| Complexity | 1300.9769 |
Chemical Identifiers
| CAS Number | 900099-53-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C |
Product Overview
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate (CAS 900099-53-8), with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol. IUPAC: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 2-methylbenzoate.
Chemical Property Profile of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate
Property Insights of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate
The XLogP value of 3.04406 indicates that 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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 2-methylbenzoate. Following Lipinski's Rule of Five, 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate 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 2-methylbenzoate?
The CAS number of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate is 900099-53-8.
What is the molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate?
The molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate is C23H22N4O4.
What is the molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate?
The molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate is 418.16 g/mol.
Where can I buy 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate?
You can request a quote for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate 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 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.