3-(Benzoyloxy)-2-methyl-4H-pyran-4-one
TL;DR: 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one (CAS 6151-06-0) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxopyran-3-yl) benzoate
Also Known As: 2-methyl-4-oxo-4h-pyran-3-yl benzoate, 3-benzoyloxy-2-methyl-4-pyrone, (2-methyl-4-oxopyran-3-yl) benzoate, 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one, 4H-Pyran-4-one,3-(benzoyloxy)-2-methyl-
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 6151-06-0 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2 |
| InChIKey | GBNUKEJIAQPSJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Benzoyloxy)-2-methyl-4H-pyran-4-one (CAS 6151-06-0), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) benzoate.
Chemical Property Profile of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one
Property Insights of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one has 0 hydrogen bond donor(s) and 4 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 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one?
The CAS number of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one is 6151-06-0.
What is the molecular formula of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one?
The molecular formula of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one is C13H10O4.
What is the molecular weight of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one?
The molecular weight of 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one is 230.06 g/mol.
Where can I buy 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one?
You can request a quote for 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzoyloxy)-2-methyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.