methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate
TL;DR: methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate (CAS 879446-29-4) is a chemical compound with molecular formula C26H24N2O5 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[2-hydroxy-4-[(2-methylphenyl)methoxy]phenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
Also Known As: methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate, methyl 4-(3-{2-hydroxy-4-[(2-methylphenyl)methoxy]phenyl}-5-methylpyrazol-4-yl oxy)benzoate, methyl 4-[(5-{2-hydroxy-4-[(2-methylbenzyl)oxy]phenyl}-3-methyl-1H-pyrazol-4-yl)oxy]benzoate, methyl 4-[[(5Z)-3-methyl-5-[4-[(2-methylphenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,2-dihydropyrazol-4-yl]oxy]benzoate, methyl 4-[[3-methyl-5-[4-[(2-methylphenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,2-dihydropyrazol-4-yl]oxy]benzoate
| Molecular Formula | C26H24N2O5 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 5.55704 |
| Topological Polar Surface Area | 93.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.16852 |
| Heavy Atoms | 33 |
| Complexity | 1278.3444 |
Chemical Identifiers
| CAS Number | 879446-29-4 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=CC(=C(C=C2)C3=NNC(=C3OC4=CC=C(C=C4)C(=O)OC)C)O |
Product Overview
methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate (CAS 879446-29-4), with molecular formula C26H24N2O5 and molecular weight 444.17 g/mol. IUPAC: methyl 4-[[3-[2-hydroxy-4-[(2-methylphenyl)methoxy]phenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate.
Chemical Property Profile of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate
Property Insights of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate
The XLogP value of 5.55704 indicates that methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate. Following Lipinski's Rule of Five, methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
The CAS number of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is 879446-29-4.
What is the molecular formula of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
The molecular formula of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is C26H24N2O5.
What is the molecular weight of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
The molecular weight of methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is 444.17 g/mol.
Where can I buy methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
You can request a quote for methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((3-(2-hydroxy-4-((2-methylbenzyl)oxy)phenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.