4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid
TL;DR: 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid (CAS 103344-69-0) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid
Also Known As: 2-Hydroxy-4-oxo-4-(p-tolyl)but-2-enoic acid, (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid, 2-Hydroxy-4-oxo-4-(p-tolyl)but-2-enoicacid, 2-Butenoic acid, 2-hydroxy-4-(4-methylphenyl)-4-oxo-
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 103344-69-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC(=O)C(=O)O)O |
| InChIKey | BDSZGRPPZOUZRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid (CAS 103344-69-0), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid.
Chemical Property Profile of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid
Property Insights of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid. Following Lipinski's Rule of Five, 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid has 2 hydrogen bond donor(s) and 4 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 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid?
The CAS number of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid is 103344-69-0.
What is the molecular formula of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid?
The molecular formula of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid is C11H10O4.
What is the molecular weight of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid?
The molecular weight of 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid is 206.06 g/mol.
Where can I buy 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid?
You can request a quote for 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.