Butyl fluoroacetate
TL;DR: Butyl fluoroacetate (CAS 371-49-3) is a chemical compound with molecular formula C6H11FO2 and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-fluoroacetate
Also Known As: n-Butyl fluoroacetate, Butyl fluoroacetate, butyl 2-fluoroacetate, Butyl=fluoroacetate, N-BUTYLFLUOROACETATE
| Molecular Formula | C6H11FO2 |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 134.07431 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 371-49-3 |
|---|---|
| SMILES | CCCCOC(=O)CF |
| InChIKey | FZXXGBGMLALCIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl fluoroacetate (CAS 371-49-3), with molecular formula C6H11FO2 and molecular weight 134.07 g/mol. IUPAC: butyl 2-fluoroacetate.
Chemical Property Profile of Butyl fluoroacetate
Property Insights of Butyl fluoroacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl fluoroacetate has 0 hydrogen bond donor(s) and 3 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 Butyl fluoroacetate?
The CAS number of Butyl fluoroacetate is 371-49-3.
What is the molecular formula of Butyl fluoroacetate?
The molecular formula of Butyl fluoroacetate is C6H11FO2.
What is the molecular weight of Butyl fluoroacetate?
The molecular weight of Butyl fluoroacetate is 134.07 g/mol.
Where can I buy Butyl fluoroacetate?
You can request a quote for Butyl fluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.