(4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate
TL;DR: (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate (CAS 52080-38-3) is a chemical compound with molecular formula C27H20O8 and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate
Also Known As: (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate, 6-[(Benzoyloxy)methyl]-3-oxo-3,6-dihydro-2H-pyran-2,4-diyl dibenzoate, 2H-pyran-3(6h)-one,2,4-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-, (2r-trans)-(9ci), 4-(benzoyloxy)-6-[(benzoyloxy)methyl]-3-oxo-3,6-dihydro-2H-pyran-2-yl benzoate
| Molecular Formula | C27H20O8 |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.1158 |
| Heavy Atoms | 35 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 52080-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C=C(C(=O)C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | NOKKFSNWQIZOKQ-UHFFFAOYSA-N |
Product Overview
(4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate (CAS 52080-38-3), with molecular formula C27H20O8 and molecular weight 472.12 g/mol. IUPAC: (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate.
Chemical Property Profile of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate
Property Insights of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate
The XLogP value of 4.9 indicates that (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate has 0 hydrogen bond donor(s) and 8 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 (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
The CAS number of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate is 52080-38-3.
What is the molecular formula of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
The molecular formula of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate is C27H20O8.
What is the molecular weight of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
The molecular weight of (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate is 472.12 g/mol.
Where can I buy (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
You can request a quote for (4,6-dibenzoyloxy-5-oxo-2H-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 (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4,6-dibenzoyloxy-5-oxo-2H-pyran-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.