Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate
TL;DR: Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate (CAS 2397-77-5) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-6-phenylpyran-2-carboxylate
Also Known As: Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate, ethyl 4-oxo-6-phenylpyran-2-carboxylate, ethyl 4-oxo-6-phenyl-pyran-2-carboxylate, 4H-Pyran-2-carboxylicacid, 4-oxo-6-phenyl-, ethyl ester, Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate #
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 2397-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C=C(O1)C2=CC=CC=C2 |
| InChIKey | NYYLTUCYTUTUOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate (CAS 2397-77-5), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: ethyl 4-oxo-6-phenylpyran-2-carboxylate.
Chemical Property Profile of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate
Property Insights of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate 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 Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate?
The CAS number of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate is 2397-77-5.
What is the molecular formula of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate?
The molecular formula of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate is C14H12O4.
What is the molecular weight of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate?
The molecular weight of Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate is 244.07 g/mol.
Where can I buy Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate?
You can request a quote for Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-6-phenyl-4H-pyran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.