Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate
TL;DR: Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate (CAS 65356-48-1) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate
Also Known As: methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate, 2-Butenoic acid, 2-hydroxy-4-(4-methoxyphenyl)-4-oxo-, methyl ester, methyl 4-p-methoxyphenyl-2-hydroxy-4-oxo-2-butenoate, methyl (2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoate, METHYL 2-HYDROXY-4-(4-METHOXYPHENYL)-4-OXOBUT-2-ENOATE
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 65356-48-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=CC(=O)C(=O)OC)O |
| InChIKey | WZWQAWMZYSJXRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate (CAS 65356-48-1), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate.
Chemical Property Profile of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate
Property Insights of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate has 1 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 Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate?
The CAS number of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate is 65356-48-1.
What is the molecular formula of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate?
The molecular formula of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate is C12H12O5.
What is the molecular weight of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate?
The molecular weight of Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate is 236.07 g/mol.
Where can I buy Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate?
You can request a quote for Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.