Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate
TL;DR: Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate (CAS 55386-79-3) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate
Also Known As: methyl 2-hydroxy-4-(2-hydroxyphenyl)-4-oxobut-2-enoate, methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate, Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxo-but-3-enoate
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.0332 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 447.44308 |
Chemical Identifiers
| CAS Number | 55386-79-3 |
|---|---|
| SMILES | COC(=O)C(=O)C=C(C1=CC=CC=C1O)O |
Product Overview
Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate (CAS 55386-79-3), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate.
Chemical Property Profile of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate
Property Insights of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate
The XLogP value of 1.0332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate has 2 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-(2-hydroxyphenyl)-2-oxobut-3-enoate?
The CAS number of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate is 55386-79-3.
What is the molecular formula of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate?
The molecular formula of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate is C11H10O5.
What is the molecular weight of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate?
The molecular weight of Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate is 222.05 g/mol.
Where can I buy Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate?
You can request a quote for Methyl 4-hydroxy-4-(2-hydroxyphenyl)-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-(2-hydroxyphenyl)-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.