4-(2-Oxo-2H-chromen-3-yl)phenyl acetate
TL;DR: 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate (CAS 2005-94-9) 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-(2-oxochromen-3-yl)phenyl] acetate
Also Known As: 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate, [4-(2-oxochromen-3-yl)phenyl] acetate, NCI60_025903, 2h-1-benzopyran-2-one, 3-[4-(acetyloxy)phenyl]-, 2h-1-benzopyran-2-one,3-[4-(acetyloxy)phenyl]-
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 2005-94-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | HLOFWCHOMFXXRP-UHFFFAOYSA-N |
Product Overview
4-(2-Oxo-2H-chromen-3-yl)phenyl acetate (CAS 2005-94-9), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: [4-(2-oxochromen-3-yl)phenyl] acetate.
Chemical Property Profile of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate
Property Insights of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate
The XLogP value of 3.3 indicates that 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate 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-2H-chromen-3-yl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate 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-2H-chromen-3-yl)phenyl acetate?
The CAS number of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate is 2005-94-9.
What is the molecular formula of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate?
The molecular formula of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate is C17H12O4.
What is the molecular weight of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate?
The molecular weight of 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate is 280.07 g/mol.
Where can I buy 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate?
You can request a quote for 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate 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-2H-chromen-3-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Oxo-2H-chromen-3-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.