![3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid structure](/static/products/3545/354547-72-1.webp)
3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
TL;DR: 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid (CAS 354547-72-1) is a chemical compound with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 3-[4-[(2-Bromo-4-hydroxy-5-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
| Molecular Formula | C19H15BrN2O5 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 3.6676 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.01642 |
| Heavy Atoms | 27 |
| Complexity | 1013.1548 |
Chemical Identifiers
| CAS Number | 354547-72-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)O)OC)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid (CAS 354547-72-1), with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol. IUPAC: 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Property Insights of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
The XLogP value of 3.6676 indicates that 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid has 2 hydrogen bond donor(s) and 5 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 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
The CAS number of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is 354547-72-1.
What is the molecular formula of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
The molecular formula of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is C19H15BrN2O5.
What is the molecular weight of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
The molecular weight of 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is 430.02 g/mol.
Where can I buy 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
You can request a quote for 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-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 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.