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6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate
TL;DR: 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate (CAS 38594-97-7) is a chemical compound with molecular formula C20H14O6 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzoyloxy-4-oxopyran-2-yl)methyl benzoate
Also Known As: (5-benzoyloxy-4-oxopyran-2-yl)methyl benzoate, 6-[(benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate, 5-Benzoyloxy-2-benzoyloxymethyl-4H-pyran-4-on
| Molecular Formula | C20H14O6 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.07904 |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 38594-97-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3 |
| InChIKey | SPKAAOBGIQDSPR-UHFFFAOYSA-N |
Product Overview
6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate (CAS 38594-97-7), with molecular formula C20H14O6 and molecular weight 350.08 g/mol. IUPAC: (5-benzoyloxy-4-oxopyran-2-yl)methyl benzoate.
Chemical Property Profile of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate
Property Insights of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate
The XLogP value of 3.1 indicates that 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate. Following Lipinski's Rule of Five, 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate has 0 hydrogen bond donor(s) and 6 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 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate?
The CAS number of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate is 38594-97-7.
What is the molecular formula of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate?
The molecular formula of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate is C20H14O6.
What is the molecular weight of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate?
The molecular weight of 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate is 350.08 g/mol.
Where can I buy 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate?
You can request a quote for 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-[(Benzoyloxy)methyl]-4-oxo-4h-pyran-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.