methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate
TL;DR: methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate (CAS 556824-19-2) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-(4-ethoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
Also Known As: ChemDiv3_004575, IDI1_022485, methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate, methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate, AB00103763-01
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.7263 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 458.77487 |
Chemical Identifiers
| CAS Number | 556824-19-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C/C(=O)C(=O)OC)/O |
Product Overview
methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate (CAS 556824-19-2), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: methyl (Z)-4-(4-ethoxyphenyl)-4-hydroxy-2-oxobut-3-enoate.
Chemical Property Profile of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate
Property Insights of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate
The XLogP value of 1.7263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate. Following Lipinski's Rule of Five, methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-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 (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate?
The CAS number of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate is 556824-19-2.
What is the molecular formula of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate?
The molecular formula of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate is C13H14O5.
What is the molecular weight of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate?
The molecular weight of methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate is 250.08 g/mol.
Where can I buy methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate?
You can request a quote for methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-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 methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-4-(4-ethoxyphenyl)-2-hydroxy-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.