![4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid structure](/static/products/3526/352694-19-0.webp)
4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
TL;DR: 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid (CAS 352694-19-0) is a chemical compound with molecular formula C22H20Br2N2O5 and molecular weight 549.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2,3-dibromo-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid, 4-[4-[(2,3-dibromo-4,5-diethoxy-phenyl)methylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic Acid, 4-[4-[(2,3-dibromo-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
| Molecular Formula | C22H20Br2N2O5 |
|---|---|
| Molecular Weight | 549.97 g/mol |
| LogP | 5.5133 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.9739 |
| Heavy Atoms | 31 |
| Complexity | 1094.0704 |
Chemical Identifiers
| CAS Number | 352694-19-0 |
|---|---|
| SMILES | CCOC1=C(C(=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)Br)Br)OCC |
Product Overview
4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid (CAS 352694-19-0), with molecular formula C22H20Br2N2O5 and molecular weight 549.97 g/mol. IUPAC: 4-[4-[(2,3-dibromo-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
Property Insights of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
The XLogP value of 5.5133 indicates that 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid has 1 hydrogen bond donor(s) and 5 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-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid?
The CAS number of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid is 352694-19-0.
What is the molecular formula of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid?
The molecular formula of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid is C22H20Br2N2O5.
What is the molecular weight of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid?
The molecular weight of 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid is 549.97 g/mol.
Where can I buy 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid?
You can request a quote for 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-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-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[(2,3-Dibromo-4,5-diethoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.