5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
TL;DR: 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid (CAS 1219-33-6) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-5-phenylmethoxypyran-2-carboxylic acid
Also Known As: 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid, 4H-Pyran-2-carboxylic acid, 4-oxo-5-(phenylmethoxy)-, 4-oxo-5-phenylmethoxypyran-2-carboxylic acid, 5-benzyloxy-4-pyrone-2-carboxylic acid, 5-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 1.917 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 600.2787 |
Chemical Identifiers
| CAS Number | 1219-33-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=COC(=CC2=O)C(=O)O |
Product Overview
5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid (CAS 1219-33-6), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 4-oxo-5-phenylmethoxypyran-2-carboxylic acid.
Chemical Property Profile of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
Property Insights of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
The XLogP value of 1.917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(benzyloxy)-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 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid?
The CAS number of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid is 1219-33-6.
What is the molecular formula of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid?
The molecular formula of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid is C13H10O5.
What is the molecular weight of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid?
The molecular weight of 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid is 246.05 g/mol.
Where can I buy 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid?
You can request a quote for 5-(benzyloxy)-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 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.