![4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid structure](/static/products/3537/353771-08-1.webp)
4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
TL;DR: 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid (CAS 353771-08-1) is a chemical compound with molecular formula C22H19IN2O7 and molecular weight 550.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4Z)-4-[[4-(carboxymethoxy)-3-ethoxy-5-iodophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid, (Z)-4-(4-(4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 4-[(4Z)-4-[[4-(carboxymethoxy)-3-ethoxy-5-iodophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 4-[(4Z)-4-[[4-(carboxymethyloxy)-3-ethoxy-5-iodophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 4-[4-{(Z)-1-[4-(CARBOXYMETHOXY)-3-ETHOXY-5-IODOPHENYL]METHYLIDENE}-3-METHYL-5-OXO-1H-PYRAZOL-1(5H)-YL]BENZOIC ACID
| Molecular Formula | C22H19IN2O7 |
|---|---|
| Molecular Weight | 550.02 g/mol |
| LogP | 3.6576 |
| Topological Polar Surface Area | 125.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.0237 |
| Heavy Atoms | 32 |
| Complexity | 1139.7135 |
Chemical Identifiers
| CAS Number | 353771-08-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)I)OCC(=O)O |
Product Overview
4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid (CAS 353771-08-1), with molecular formula C22H19IN2O7 and molecular weight 550.02 g/mol. IUPAC: 4-[(4Z)-4-[[4-(carboxymethoxy)-3-ethoxy-5-iodophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Property Insights of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
The XLogP value of 3.6576 indicates that 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid 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 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid?
The CAS number of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid is 353771-08-1.
What is the molecular formula of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid?
The molecular formula of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid is C22H19IN2O7.
What is the molecular weight of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid?
The molecular weight of 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid is 550.02 g/mol.
Where can I buy 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid?
You can request a quote for 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.