methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate
TL;DR: methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate (CAS 1010866-40-6) is a chemical compound with molecular formula C24H19N3O7 and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[2-hydroxy-4-[(4-nitrophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]oxy]benzoate
Also Known As: methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate, methyl 4-(3-{2-hydroxy-4-[(4-nitrophenyl)methoxy]phenyl}pyrazol-4-yloxy)benzoa te, methyl 4-[(5-{2-hydroxy-4-[(4-nitrobenzyl)oxy]phenyl}-1H-pyrazol-4-yl)oxy]benzoate, methyl 4-[[(3Z)-3-[4-[(4-nitrophenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,2-dihydropyrazol-4-yl]oxy]benzoate, methyl 4-[[3-[4-[(4-nitrophenyl)methoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,2-dihydropyrazol-4-yl]oxy]benzoate
| Molecular Formula | C24H19N3O7 |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 4.8484 |
| Topological Polar Surface Area | 136.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.1223 |
| Heavy Atoms | 34 |
| Complexity | 1315.4133 |
Chemical Identifiers
| CAS Number | 1010866-40-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=C(NN=C2)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate (CAS 1010866-40-6), with molecular formula C24H19N3O7 and molecular weight 461.12 g/mol. IUPAC: methyl 4-[[5-[2-hydroxy-4-[(4-nitrophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]oxy]benzoate.
Chemical Property Profile of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate
Property Insights of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate
The XLogP value of 4.8484 indicates that methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.81 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate. Following Lipinski's Rule of Five, methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate has 2 hydrogen bond donor(s) and 8 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 methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate?
The CAS number of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate is 1010866-40-6.
What is the molecular formula of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate?
The molecular formula of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate is C24H19N3O7.
What is the molecular weight of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate?
The molecular weight of methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate is 461.12 g/mol.
Where can I buy methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate?
You can request a quote for methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-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-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((3-(2-hydroxy-4-((4-nitrobenzyl)oxy)phenyl)-1H-pyrazol-4-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.