6-methyl-2-oxo-2H-pyran-4-yl benzoate
TL;DR: 6-methyl-2-oxo-2H-pyran-4-yl benzoate (CAS 18068-86-5) 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-6-oxopyran-4-yl) benzoate
Also Known As: 6-methyl-2-oxo-2H-pyran-4-yl benzoate, (2-methyl-6-oxopyran-4-yl) benzoate, 4-Benzoyloxy-6-methyl-2-pyrone, 6-methyl-2-oxopyran-4-yl benzoate, 4-(Benzoyloxy)-6-methyl-2H-pyran-2-one
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.3 |
| 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 | 18068-86-5 |
|---|---|
| SMILES | CC1=CC(=CC(=O)O1)OC(=O)C2=CC=CC=C2 |
| InChIKey | LVXVOANDRCZMGF-UHFFFAOYSA-N |
Product Overview
6-methyl-2-oxo-2H-pyran-4-yl benzoate (CAS 18068-86-5), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: (2-methyl-6-oxopyran-4-yl) benzoate.
Chemical Property Profile of 6-methyl-2-oxo-2H-pyran-4-yl benzoate
Property Insights of 6-methyl-2-oxo-2H-pyran-4-yl benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-2-oxo-2H-pyran-4-yl benzoate. With a topological polar surface area (TPSA) of 52.6 Ų, 6-methyl-2-oxo-2H-pyran-4-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-2-oxo-2H-pyran-4-yl benzoate 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 6-methyl-2-oxo-2H-pyran-4-yl benzoate?
The CAS number of 6-methyl-2-oxo-2H-pyran-4-yl benzoate is 18068-86-5.
What is the molecular formula of 6-methyl-2-oxo-2H-pyran-4-yl benzoate?
The molecular formula of 6-methyl-2-oxo-2H-pyran-4-yl benzoate is C13H10O4.
What is the molecular weight of 6-methyl-2-oxo-2H-pyran-4-yl benzoate?
The molecular weight of 6-methyl-2-oxo-2H-pyran-4-yl benzoate is 230.06 g/mol.
Where can I buy 6-methyl-2-oxo-2H-pyran-4-yl benzoate?
You can request a quote for 6-methyl-2-oxo-2H-pyran-4-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-methyl-2-oxo-2H-pyran-4-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-oxo-2H-pyran-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.