methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate
TL;DR: methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate (CAS 81158-22-7) is a chemical compound with molecular formula C8H8O5 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate
Also Known As: methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate, Methyl (2E)-(2-hydroxy-6-oxo-2H-pyran-3(6H)-ylidene)acetate
| Molecular Formula | C8H8O5 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | -0.4828 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.03717 |
| Heavy Atoms | 13 |
| Complexity | 288.90952 |
Chemical Identifiers
| CAS Number | 81158-22-7 |
|---|---|
| SMILES | COC(=O)/C=C/1\C=CC(=O)OC1O |
Product Overview
methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate (CAS 81158-22-7), with molecular formula C8H8O5 and molecular weight 184.04 g/mol. IUPAC: methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate.
Chemical Property Profile of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate
Property Insights of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate
The XLogP value of -0.4828 indicates that methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate. Following Lipinski's Rule of Five, methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate 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 (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate?
The CAS number of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate is 81158-22-7.
What is the molecular formula of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate?
The molecular formula of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate is C8H8O5.
What is the molecular weight of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate?
The molecular weight of methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate is 184.04 g/mol.
Where can I buy methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate?
You can request a quote for methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-(2-hydroxy-6-oxopyran-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.