4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid
TL;DR: 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid (CAS 145761-42-8) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
Also Known As: 2-Hydroxybenzalpyruvate, 2-hydroxybenzalpyruvic acid, 4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid, 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid, (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.04225 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04225 Da |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
| SMILES | C1=CC=C(C(=C1)C=CC(=O)C(=O)O)O |
| InChIKey | HMXOGGUFCBUALL-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid
Property Insights of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid. Following Lipinski's Rule of Five, 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic 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
What is the CAS number of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid?
The CAS number of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid is 145761-42-8.
What is the molecular formula of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid?
The molecular formula of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid is C10H8O4.
What is the molecular weight of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid?
The molecular weight of 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid is 192.04225 g/mol.
Where can I buy 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid?
You can request a quote for 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.