4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate
TL;DR: 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate (CAS 124980-74-1) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-oxo-3-[(E)-3-oxoprop-1-enyl]chromen-7-yl] acetate
Also Known As: 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate, [4-oxo-3-[(E)-3-oxoprop-1-enyl]chromen-7-yl] acetate, AE-848/33211033, 3-((1E)-3-oxoprop-1-enyl)-4-oxochromen-7-yl acetate, (E)-4-oxo-3-(3-oxoprop-1-en-1-yl)-4H-chromen-7-yl acetate
Technical Specifications
| Molecular Formula | C14H10O5 |
| Molecular Weight | 258.05283 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.05283 Da |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)/C=C/C=O |
| InChIKey | MMJISHAWBFSZMV-NSCUHMNNSA-N |
Chemical Property Profile of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate
Property Insights of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate?
The CAS number of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate is 124980-74-1.
What is the molecular formula of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate?
The molecular formula of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate is C14H10O5.
What is the molecular weight of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate?
The molecular weight of 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate is 258.05283 g/mol.
Where can I buy 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate?
You can request a quote for 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate?
Yes, CoreyChem provides custom synthesis services for 4-oxo-3-(3-oxoprop-1-enyl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.