ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate
TL;DR: ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate (CAS 879454-92-9) is a chemical compound with molecular formula C26H22Cl2N2O5 and molecular weight 512.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[4-[(3,4-dichlorophenyl)methoxy]-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
Also Known As: ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate, ethyl 4-(3-{4-[(3,4-dichlorophenyl)methoxy]-2-hydroxyphenyl}-5-methylpyrazol-4 -yloxy)benzoate, ethyl 4-[(5-{4-[(3,4-dichlorobenzyl)oxy]-2-hydroxyphenyl}-3-methyl-1H-pyrazol-4-yl)oxy]benzoate, ethyl 4-[[(3Z)-3-[4-[(3,4-dichlorophenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-5-methyl-1,2-dihydropyrazol-4-yl]oxy]benzoate, ethyl 4-[[3-[4-[(3,4-dichlorophenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-5-methyl-1,2-dihydropyrazol-4-yl]oxy]benzoate
| Molecular Formula | C26H22Cl2N2O5 |
|---|---|
| Molecular Weight | 512.09 g/mol |
| LogP | 6.94552 |
| Topological Polar Surface Area | 93.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.0906 |
| Heavy Atoms | 35 |
| Complexity | 1352.6119 |
Chemical Identifiers
| CAS Number | 879454-92-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=C(NN=C2C3=C(C=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl)O)C |
Product Overview
ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate (CAS 879454-92-9), with molecular formula C26H22Cl2N2O5 and molecular weight 512.09 g/mol. IUPAC: ethyl 4-[[3-[4-[(3,4-dichlorophenyl)methoxy]-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate.
Chemical Property Profile of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate
Property Insights of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate
The XLogP value of 6.94552 indicates that ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-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 ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate. Following Lipinski's Rule of Five, ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-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 ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
The CAS number of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is 879454-92-9.
What is the molecular formula of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
The molecular formula of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is C26H22Cl2N2O5.
What is the molecular weight of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
The molecular weight of ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate is 512.09 g/mol.
Where can I buy ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
You can request a quote for ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-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 ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-(4-((3,4-dichlorobenzyl)oxy)-2-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.