1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one
TL;DR: 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one (CAS 77666-73-0) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 1-(p-carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one, 4-[4,5-DIHYDRO-4-[(4-HYDROXYPHENYL)METHYLENE]-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZOIC ACID, Benzoic acid,4-[4,5-dihydro-4-[(4-hydroxyphenyl)methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 77666-73-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C3=CC=C(C=C3)C(=O)O |
| InChIKey | JWHGXMAVIMEDSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one (CAS 77666-73-0), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: 4-[4-[(4-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one
Property Insights of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one 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 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one?
The CAS number of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one is 77666-73-0.
What is the molecular formula of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one?
The molecular formula of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one is C18H14N2O4.
What is the molecular weight of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one?
The molecular weight of 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one is 322.10 g/mol.
Where can I buy 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one?
You can request a quote for 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Carboxyphenyl)-3-methyl-4-(p-hydroxybenzylidene)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.