methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate
TL;DR: methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate (CAS 39847-93-3) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate
Also Known As: BAS 00432004, AB00076309-01, methyl 2-hydroxy-4-oxo-6-phenyl-2,5-hexadienoate, methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate, 2-Hydroxy-4-oxo-6-phenyl-hexa-2,5-dienoic acidmethylester
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.8838 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 457.56763 |
Chemical Identifiers
| CAS Number | 39847-93-3 |
|---|---|
| SMILES | COC(=O)/C(=C/C(=O)/C=C/C1=CC=CC=C1)/O |
Product Overview
methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate (CAS 39847-93-3), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate.
Chemical Property Profile of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate
Property Insights of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate
The XLogP value of 1.8838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate. Following Lipinski's Rule of Five, methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate 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 (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate?
The CAS number of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate is 39847-93-3.
What is the molecular formula of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate?
The molecular formula of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate is C13H12O4.
What is the molecular weight of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate?
The molecular weight of methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate is 232.07 g/mol.
Where can I buy methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate?
You can request a quote for methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z,5E)-2-hydroxy-4-oxo-6-phenylhexa-2,5-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.