![3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid structure](/static/products/5998/5998-99-2.webp)
3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
TL;DR: 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid (CAS 5998-99-2) is a chemical compound with molecular formula C18H13BrN2O3 and molecular weight 384.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 2-<2-Hydroxy-aethylmercaptomethyl>-benzimidazol, 3-[4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic Acid, 3-{(4Z)-4-[(3-Bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
| Molecular Formula | C18H13BrN2O3 |
|---|---|
| Molecular Weight | 384.01 g/mol |
| LogP | 3.9534 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.01096 |
| Heavy Atoms | 24 |
| Complexity | 902.64185 |
Chemical Identifiers
| CAS Number | 5998-99-2 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)Br)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid (CAS 5998-99-2), with molecular formula C18H13BrN2O3 and molecular weight 384.01 g/mol. IUPAC: 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Property Insights of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
The XLogP value of 3.9534 indicates that 3-[(4Z)-4-[(3-bromophenyl)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 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid has 1 hydrogen bond donor(s) and 3 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-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
The CAS number of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is 5998-99-2.
What is the molecular formula of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
The molecular formula of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is C18H13BrN2O3.
What is the molecular weight of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
The molecular weight of 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid is 384.01 g/mol.
Where can I buy 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
You can request a quote for 3-[(4Z)-4-[(3-bromophenyl)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-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.