Methyl 2,3,4,5,6-pentafluorophenylacetate
TL;DR: Methyl 2,3,4,5,6-pentafluorophenylacetate (CAS 145682-85-5) is a chemical compound with molecular formula C9H5F5O2 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,3,4,5,6-pentafluorophenyl)acetate
Also Known As: Methyl 2,3,4,5,6-pentafluorophenylacetate, Methyl 2-(2,3,4,5,6-pentafluorophenyl)acetate, Methyl (pentafluorophenyl)acetate, methyl 2-(perfluorophenyl)acetate, Pentafluorophenylacetic acid methyl ester
| Molecular Formula | C9H5F5O2 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.0976 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.02097 |
| Heavy Atoms | 16 |
| Complexity | 415.01086 |
Chemical Identifiers
| CAS Number | 145682-85-5 |
|---|---|
| SMILES | COC(=O)CC1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
Methyl 2,3,4,5,6-pentafluorophenylacetate (CAS 145682-85-5), with molecular formula C9H5F5O2 and molecular weight 240.02 g/mol. IUPAC: methyl 2-(2,3,4,5,6-pentafluorophenyl)acetate.
Chemical Property Profile of Methyl 2,3,4,5,6-pentafluorophenylacetate
Property Insights of Methyl 2,3,4,5,6-pentafluorophenylacetate
The XLogP value of 2.0976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3,4,5,6-pentafluorophenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3,4,5,6-pentafluorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,4,5,6-pentafluorophenylacetate has 0 hydrogen bond donor(s) and 2 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 2,3,4,5,6-pentafluorophenylacetate?
The CAS number of Methyl 2,3,4,5,6-pentafluorophenylacetate is 145682-85-5.
What is the molecular formula of Methyl 2,3,4,5,6-pentafluorophenylacetate?
The molecular formula of Methyl 2,3,4,5,6-pentafluorophenylacetate is C9H5F5O2.
What is the molecular weight of Methyl 2,3,4,5,6-pentafluorophenylacetate?
The molecular weight of Methyl 2,3,4,5,6-pentafluorophenylacetate is 240.02 g/mol.
Where can I buy Methyl 2,3,4,5,6-pentafluorophenylacetate?
You can request a quote for Methyl 2,3,4,5,6-pentafluorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,4,5,6-pentafluorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,4,5,6-pentafluorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.