3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
TL;DR: 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid (CAS 216581-47-4) is a chemical compound with molecular formula C14H12O5 and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
Also Known As: 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid, 4H-Pyran-2-carboxylic acid, 6-methyl-4-oxo-3-(phenylmethoxy)-, 2-Carboxy-3-benzyloxy-6-methyl-pyran-4(1H)-one, 3-benzyloxy-6-methyl-4-oxo-pyran-2-carboxylic acid
| Molecular Formula | C14H12O5 |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.22542 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06848 |
| Heavy Atoms | 19 |
| Complexity | 642.63104 |
Chemical Identifiers
| CAS Number | 216581-47-4 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(O1)C(=O)O)OCC2=CC=CC=C2 |
Product Overview
3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid (CAS 216581-47-4), with molecular formula C14H12O5 and molecular weight 260.07 g/mol. IUPAC: 6-methyl-4-oxo-3-phenylmethoxypyran-2-carboxylic acid.
Chemical Property Profile of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
Property Insights of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
The XLogP value of 2.22542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid has 1 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-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid?
The CAS number of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid is 216581-47-4.
What is the molecular formula of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid?
The molecular formula of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid is C14H12O5.
What is the molecular weight of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid?
The molecular weight of 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid is 260.07 g/mol.
Where can I buy 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid?
You can request a quote for 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.