![4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate structure](/static/products/879/879468-71-0.png)
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate
TL;DR: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate (CAS 879468-71-0) is a chemical compound with molecular formula C25H26N4O5 and molecular weight 462.19 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]-2-ethoxyphenyl] 3-methylbenzoate
Also Known As: 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 3-methylbenzoate, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] 3-methylbenzoate, 4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)-2-ethoxyphenyl 3-methylbenzoate
| Molecular Formula | C25H26N4O5 |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 3.44276 |
| Topological Polar Surface Area | 132.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.1903 |
| Heavy Atoms | 34 |
| Complexity | 1402.2095 |
Chemical Identifiers
| CAS Number | 879468-71-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=CC(=C4)C |
Product Overview
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate (CAS 879468-71-0), with molecular formula C25H26N4O5 and molecular weight 462.19 g/mol. IUPAC: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] 3-methylbenzoate.
Chemical Property Profile of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate
Property Insights of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate
The XLogP value of 3.44276 indicates that 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate. Following Lipinski's Rule of Five, 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate has 4 hydrogen bond donor(s) and 5 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]-2-ethoxyphenyl 3-methylbenzoate?
The CAS number of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate is 879468-71-0.
What is the molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate?
The molecular formula of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate is C25H26N4O5.
What is the molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate?
The molecular weight of 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate is 462.19 g/mol.
Where can I buy 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate?
You can request a quote for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-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]-2-ethoxyphenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.