propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate
TL;DR: propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate (CAS 879438-35-4) is a chemical compound with molecular formula C28H28N2O5 and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[5-[4-[(2,5-dimethylphenyl)methoxy]-2-hydroxyphenyl]-1H-pyrazol-4-yl]oxy]benzoate
Also Known As: propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate, propyl 4-(3-{4-[(2,5-dimethylphenyl)methoxy]-2-hydroxyphenyl}pyrazol-4-yloxy)b enzoate, propyl 4-[(5-{4-[(2,5-dimethylbenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate, propyl 4-[[(3Z)-3-[4-[(2,5-dimethylphenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,2-dihydropyrazol-4-yl]oxy]benzoate, propyl 4-[[3-[4-[(2,5-dimethylphenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,2-dihydropyrazol-4-yl]oxy]benzoate
| Molecular Formula | C28H28N2O5 |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 6.33724 |
| Topological Polar Surface Area | 93.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.19983 |
| Heavy Atoms | 35 |
| Complexity | 1311.4346 |
Chemical Identifiers
| CAS Number | 879438-35-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)OC2=C(NN=C2)C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)C)C)O |
Product Overview
propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate (CAS 879438-35-4), with molecular formula C28H28N2O5 and molecular weight 472.20 g/mol. IUPAC: propyl 4-[[5-[4-[(2,5-dimethylphenyl)methoxy]-2-hydroxyphenyl]-1H-pyrazol-4-yl]oxy]benzoate.
Chemical Property Profile of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate
Property Insights of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate
The XLogP value of 6.33724 indicates that propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-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 propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate. Following Lipinski's Rule of Five, propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-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 propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate?
The CAS number of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate is 879438-35-4.
What is the molecular formula of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate?
The molecular formula of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate is C28H28N2O5.
What is the molecular weight of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate?
The molecular weight of propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate is 472.20 g/mol.
Where can I buy propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate?
You can request a quote for propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-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 propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for propyl 4-((3-(4-((2,5-dimethylbenzyl)oxy)-2-hydroxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.