Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate
TL;DR: Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate (CAS 39848-01-6) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate
Also Known As: methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate, methyl 2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoate, 2-Butenoic acid, 2-hydroxy-4-(4-methylphenyl)-4-oxo-, methyl ester, Benzenebutanoic acid,4-methyl-a,g-dioxo-,methyl ester, methyl (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoate
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.63602 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 428.8369 |
Chemical Identifiers
| CAS Number | 39848-01-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC(=O)C(=O)OC)O |
Product Overview
Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate (CAS 39848-01-6), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate.
Chemical Property Profile of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate
Property Insights of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate
The XLogP value of 1.63602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate 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 Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate?
The CAS number of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate is 39848-01-6.
What is the molecular formula of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate?
The molecular formula of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate is C12H12O4.
What is the molecular weight of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate?
The molecular weight of Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate is 220.07 g/mol.
Where can I buy Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate?
You can request a quote for Methyl 4-hydroxy-4-(4-methylphenyl)-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-methylphenyl)-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.