Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride
TL;DR: Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride (CAS 79930-53-3) is a chemical compound with molecular formula C9H13FO5 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyl 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoate
Also Known As: acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride, ACETYL 3-FLUORO-4-HYDROXY-5-METHYL-2-OXO-HEXANOATE, acetyl 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoate, acetyl3-fluoro-4-hydroxy-5-methyl-2-oxo-hexanoate, Hexanoic acid,3-fluoro-4-hydroxy-5-methyl-2-oxo-, anhydride with acetic acid
| Molecular Formula | C9H13FO5 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.0747 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 79930-53-3 |
|---|---|
| SMILES | CC(C)C(C(C(=O)C(=O)OC(=O)C)F)O |
| InChIKey | YJQAIOCELGPLSE-UHFFFAOYSA-N |
Product Overview
Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride (CAS 79930-53-3), with molecular formula C9H13FO5 and molecular weight 220.07 g/mol. IUPAC: acetyl 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoate.
Chemical Property Profile of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride
Property Insights of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride. Following Lipinski's Rule of Five, Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride has 1 hydrogen bond donor(s) and 6 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 Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride?
The CAS number of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride is 79930-53-3.
What is the molecular formula of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride?
The molecular formula of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride is C9H13FO5.
What is the molecular weight of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride?
The molecular weight of Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride is 220.07 g/mol.
Where can I buy Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride?
You can request a quote for Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Acetic 3-fluoro-4-hydroxy-5-methyl-2-oxohexanoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.