![3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID structure](/static/products/6040/6040-84-2.webp)
3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID
TL;DR: 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID (CAS 6040-84-2) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID, 3-[(4E)-4-(3-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, 3-[4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid, 3-[4-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid, 3-[4-[(Z)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.2952 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 978.0874 |
Chemical Identifiers
| CAS Number | 6040-84-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)O |
Product Overview
3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID (CAS 6040-84-2), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: 3-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID
Property Insights of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID
The XLogP value of 3.2952 indicates that 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)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-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID. Following Lipinski's Rule of Five, 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)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-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID?
The CAS number of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID is 6040-84-2.
What is the molecular formula of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID?
The molecular formula of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID is C20H18N2O5.
What is the molecular weight of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID?
The molecular weight of 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID is 366.12 g/mol.
Where can I buy 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID?
You can request a quote for 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)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-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.