4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
TL;DR: 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one (CAS 81263-52-7) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenacyloxychromen-2-one
Also Known As: 4-phenacyloxychromen-2-one, 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one, NCI60_027900, 4-(2-Oxo-2-phenylethoxy)-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 4-(2-oxo-2-phenylethoxy)-
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 81263-52-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC2=CC(=O)OC3=CC=CC=C32 |
| InChIKey | SNHRPWBRXQFXNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one (CAS 81263-52-7), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 4-phenacyloxychromen-2-one.
Chemical Property Profile of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Property Insights of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
The XLogP value of 3.0 indicates that 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-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 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one?
The CAS number of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one is 81263-52-7.
What is the molecular formula of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one?
The molecular formula of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one is C17H12O4.
What is the molecular weight of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one?
The molecular weight of 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one is 280.07 g/mol.
Where can I buy 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one?
You can request a quote for 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.