乙酸氟乙酰甲酯
TL;DR: 乙酸氟乙酰甲酯 (CAS 62522-71-8) is a chemical compound with molecular formula C5H7FO3 and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸氟乙酰甲酯
(3-fluoro-2-oxopropyl) acetate
Also Known As: Fluorohydroxyacetone acetate, (3-fluoro-2-oxopropyl) acetate, Acetic acid 3-fluoro-2-oxopropyl ester, ACETIC ACID, FLUOROACETYLMETHYL ESTER, 1-Acetoxy-3-fluoropropan-2-one
| Molecular Formula | C5H7FO3 |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.03792 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 62522-71-8 |
|---|---|
| SMILES | CC(=O)OCC(=O)CF |
| InChIKey | YKCRRYAIRGEYPO-UHFFFAOYSA-N |
Product Overview
乙酸氟乙酰甲酯 (CAS 62522-71-8), with molecular formula C5H7FO3 and molecular weight 134.04 g/mol. IUPAC: (3-fluoro-2-oxopropyl) acetate.
Chemical Property Profile of 乙酸氟乙酰甲酯
Property Insights of 乙酸氟乙酰甲酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸氟乙酰甲酯. With a topological polar surface area (TPSA) of 43.4 Ų, 乙酸氟乙酰甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸氟乙酰甲酯 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 乙酸氟乙酰甲酯?
The CAS number of 乙酸氟乙酰甲酯 is 62522-71-8.
What is the molecular formula of 乙酸氟乙酰甲酯?
The molecular formula of 乙酸氟乙酰甲酯 is C5H7FO3.
What is the molecular weight of 乙酸氟乙酰甲酯?
The molecular weight of 乙酸氟乙酰甲酯 is 134.04 g/mol.
Where can I buy 乙酸氟乙酰甲酯?
You can request a quote for 乙酸氟乙酰甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸氟乙酰甲酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸氟乙酰甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.