(Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
TL;DR: (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 353774-93-3) is a chemical compound with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4Z)-4-[[3-bromo-4-(carboxymethoxy)-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 4-[(4Z)-4-[[3-bromo-4-(carboxymethoxy)-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 4-[(4Z)-4-[[3-bromo-4-(carboxymethyloxy)-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 4-{(4Z)-4-[3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid, 4-{4-[3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 3.4254 |
| Topological Polar Surface Area | 125.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1123.2933 |
Chemical Identifiers
| CAS Number | 353774-93-3 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC(=C(C(=C2)Br)OCC(=O)O)OC)C3=CC=C(C=C3)C(=O)O |
Product Overview
(Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 353774-93-3), with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol. IUPAC: 4-[(4Z)-4-[[3-bromo-4-(carboxymethoxy)-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Property Insights of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 3.4254 indicates that (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-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 (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The CAS number of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 353774-93-3.
What is the molecular formula of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is C21H17BrN2O7.
What is the molecular weight of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 488.02 g/mol.
Where can I buy (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-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 (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(4-(3-bromo-4-(carboxymethoxy)-5-methoxybenzylidene)-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.