Methyl pentafluoropropionylacetate
TL;DR: Methyl pentafluoropropionylacetate (CAS 104857-88-7) is a chemical compound with molecular formula C6H5F5O3 and molecular weight 220.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,5,5,5-pentafluoro-3-oxopentanoate
Also Known As: Methyl pentafluoropropionylacetate, methyl 4,4,5,5,5-pentafluoro-3-oxopentanoate, METHYLPENTAFLUOROPROPIONYLACETATE, 2,3-Dimethyl-6-nitroquinoxaline, Methyl pentafluoropropionylacetate 100g
| Molecular Formula | C6H5F5O3 |
|---|---|
| Molecular Weight | 220.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.01588 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 104857-88-7 |
|---|---|
| SMILES | COC(=O)CC(=O)C(C(F)(F)F)(F)F |
| InChIKey | FGGMNRZYEBHEIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pentafluoropropionylacetate (CAS 104857-88-7), with molecular formula C6H5F5O3 and molecular weight 220.02 g/mol. IUPAC: methyl 4,4,5,5,5-pentafluoro-3-oxopentanoate.
Chemical Property Profile of Methyl pentafluoropropionylacetate
Property Insights of Methyl pentafluoropropionylacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pentafluoropropionylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl pentafluoropropionylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentafluoropropionylacetate has 0 hydrogen bond donor(s) and 8 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 Methyl pentafluoropropionylacetate?
The CAS number of Methyl pentafluoropropionylacetate is 104857-88-7.
What is the molecular formula of Methyl pentafluoropropionylacetate?
The molecular formula of Methyl pentafluoropropionylacetate is C6H5F5O3.
What is the molecular weight of Methyl pentafluoropropionylacetate?
The molecular weight of Methyl pentafluoropropionylacetate is 220.02 g/mol.
Where can I buy Methyl pentafluoropropionylacetate?
You can request a quote for Methyl pentafluoropropionylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentafluoropropionylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentafluoropropionylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.