Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester (CAS 55683-22-2) is a chemical compound with molecular formula C12H9F5O4 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,3-pentafluoropropanoate
Also Known As: [4-(2-Methoxy-2-oxoethyl)phenyl] perfluoropropanoate|4-(2-Methoxy-2-oxoethyl)phenyl 2,2,3,3,3-pentafluoropropanoate|Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester|[4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,3-pentafluoropropanoate|4-(2-Methoxy-2-oxoethyl)phenyl 2,2,3,3,3-pentafluoropropanoate #|4-(2,2,3,3,3-Pentafluoro-1-oxopropoxy)benzeneacetic acid methyl ester|OWWLWJOYZHPHRY-UHFFFAOYSA-N
| Molecular Formula | C12H9F5O4 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.0421 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 55683-22-2 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)OC(=O)C(C(F)(F)F)(F)F |
| InChIKey | OWWLWJOYZHPHRY-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester (CAS 55683-22-2), with molecular formula C12H9F5O4 and molecular weight 312.04 g/mol. IUPAC: [4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
The XLogP value of 3.3 indicates that Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester has 0 hydrogen bond donor(s) and 9 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 Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester is 55683-22-2.
What is the molecular formula of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester is C12H9F5O4.
What is the molecular weight of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester is 312.04 g/mol.
Where can I buy Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.