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7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
TL;DR: 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one (CAS 156006-08-5) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
Also Known As: 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one, 7-(1-METHYL-2-OXOPROPOXY)-2H-CHROMEN-2-ONE
Technical Specifications
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.07356 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 Da |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
| SMILES | C[C@@H](C(=O)C)OC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | UHCVPUSBZDLSQF-VIFPVBQESA-N |
Chemical Property Profile of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
Property Insights of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one. With a topological polar surface area (TPSA) of 52.6 Ų, 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[(2S)-3-oxobutan-2-yl]oxychromen-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
What is the CAS number of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one?
The CAS number of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one is 156006-08-5.
What is the molecular formula of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one?
The molecular formula of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one is C13H12O4.
What is the molecular weight of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one?
The molecular weight of 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one is 232.07356 g/mol.
Where can I buy 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one?
You can request a quote for 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one?
Yes, CoreyChem provides custom synthesis services for 7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.