4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid
TL;DR: 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid (CAS 17451-21-7) 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-(4-methoxyphenyl)-2-oxobut-3-enoic acid
Also Known As: anisylidenepyruvic acid, NCIOpen2_002606, 4-methoxyphenylmethylidenepyruvic acid, 4-(4-methoxyphenyl)-2-oxobut-3-enoic acid, 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 17451-21-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=CC(=O)C(=O)O |
| InChIKey | SHVBLFWLPMOIIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid (CAS 17451-21-7), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 4-(4-methoxyphenyl)-2-oxobut-3-enoic acid.
Chemical Property Profile of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid
Property Insights of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid. Following Lipinski's Rule of Five, 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid has 1 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-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid?
The CAS number of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid is 17451-21-7.
What is the molecular formula of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid?
The molecular formula of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid is C11H10O4.
What is the molecular weight of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid?
The molecular weight of 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid is 206.06 g/mol.
Where can I buy 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid?
You can request a quote for 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(p-Methoxyphenyl)-2-Oxo-3-Butenoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.