(4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate
TL;DR: (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate (CAS 52152-86-0) is a chemical compound with molecular formula C21H18O7 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate
Also Known As: (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate, [4-(Benzoyloxy)-6-methoxy-5-oxo-5,6-dihydro-2H-pyran-2-yl]methyl benzoate, 2H-pyran-3(6h)-one,4-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-methoxy-, (2r-cis)-(9ci)
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 52152-86-0 |
|---|---|
| SMILES | COC1C(=O)C(=CC(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | SHZHFOWTKFGQTK-UHFFFAOYSA-N |
Product Overview
(4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate (CAS 52152-86-0), with molecular formula C21H18O7 and molecular weight 382.11 g/mol. IUPAC: (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate.
Chemical Property Profile of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate
Property Insights of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate
The XLogP value of 3.2 indicates that (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate has 0 hydrogen bond donor(s) and 7 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-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
The CAS number of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate is 52152-86-0.
What is the molecular formula of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
The molecular formula of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate is C21H18O7.
What is the molecular weight of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
The molecular weight of (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate is 382.11 g/mol.
Where can I buy (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
You can request a quote for (4-benzoyloxy-6-methoxy-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-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.