![[4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate structure](/static/products/496/496784-89-5.png)
[4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate
TL;DR: [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate (CAS 496784-89-5) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-5-prop-2-ynoxypyran-2-yl)methyl benzoate
Also Known As: (4-oxo-5-prop-2-ynoxypyran-2-yl)methyl benzoate, [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate, AN-885/41077134
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.0088 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 709.43744 |
Chemical Identifiers
| CAS Number | 496784-89-5 |
|---|---|
| SMILES | C#CCOC1=COC(=CC1=O)COC(=O)C2=CC=CC=C2 |
Product Overview
[4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate (CAS 496784-89-5), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: (4-oxo-5-prop-2-ynoxypyran-2-yl)methyl benzoate.
Chemical Property Profile of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate
Property Insights of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate
The XLogP value of 2.0088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate. Following Lipinski's Rule of Five, [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate has 0 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 [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate?
The CAS number of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate is 496784-89-5.
What is the molecular formula of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate?
The molecular formula of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate is C16H12O5.
What is the molecular weight of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate?
The molecular weight of [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate is 284.07 g/mol.
Where can I buy [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate?
You can request a quote for [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-oxo-5-(2-propynyloxy)-4H-pyran-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.