(Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate
TL;DR: (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate (CAS 39847-94-4) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-hydroxy-2-oxo-4-(2,4,6-trimethylphenyl)but-3-enoate
Also Known As: (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate, Methyl (Z)-4-hydroxy-4-mesityl-2-oxobut-3-enoate, methyl (Z)-4-hydroxy-2-oxo-4-(2,4,6-trimethylphenyl)but-3-enoate, methyl (2Z)-2-hydroxy-4-oxo-4-(2,4,6-trimethylphenyl)but-2-enoate, (Z)-2-Hydroxy-4-oxo-4-(2,4,6-trimethyl-phenyl)-but-2-enoic acid methyl ester
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.25286 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 503.5907 |
Chemical Identifiers
| CAS Number | 39847-94-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)/C(=C/C(=O)C(=O)OC)/O)C |
Product Overview
(Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate (CAS 39847-94-4), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: methyl (Z)-4-hydroxy-2-oxo-4-(2,4,6-trimethylphenyl)but-3-enoate.
Chemical Property Profile of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate
Property Insights of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate
The XLogP value of 2.25286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate. Following Lipinski's Rule of Five, (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-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 (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate?
The CAS number of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate is 39847-94-4.
What is the molecular formula of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate?
The molecular formula of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate is C14H16O4.
What is the molecular weight of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate?
The molecular weight of (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate is 248.10 g/mol.
Where can I buy (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate?
You can request a quote for (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-hydroxy-4-mesityl-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.