Pentafluoropropanoic acid, 4-methoxyphenyl ester
TL;DR: Pentafluoropropanoic acid, 4-methoxyphenyl ester (CAS 545338-93-0) is a chemical compound with molecular formula C10H7F5O3 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
Also Known As: 4-Methoxyphenol perfluoropropionate, 4-methoxyphenyl pentafluoropropanoate, 4-Methoxyphenol, pentafluoropropionate, Pentafluoropropanoic acid, 4-methoxyphenyl ester, J1.873.961E
| Molecular Formula | C10H7F5O3 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.03152 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 545338-93-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C(C(F)(F)F)(F)F |
| InChIKey | HOWQSLIRYRRFQI-UHFFFAOYSA-N |
Product Overview
Pentafluoropropanoic acid, 4-methoxyphenyl ester (CAS 545338-93-0), with molecular formula C10H7F5O3 and molecular weight 270.03 g/mol. IUPAC: (4-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Pentafluoropropanoic acid, 4-methoxyphenyl ester
Property Insights of Pentafluoropropanoic acid, 4-methoxyphenyl ester
The XLogP value of 3.4 indicates that Pentafluoropropanoic acid, 4-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Pentafluoropropanoic acid, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoropropanoic acid, 4-methoxyphenyl ester 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 Pentafluoropropanoic acid, 4-methoxyphenyl ester?
The CAS number of Pentafluoropropanoic acid, 4-methoxyphenyl ester is 545338-93-0.
What is the molecular formula of Pentafluoropropanoic acid, 4-methoxyphenyl ester?
The molecular formula of Pentafluoropropanoic acid, 4-methoxyphenyl ester is C10H7F5O3.
What is the molecular weight of Pentafluoropropanoic acid, 4-methoxyphenyl ester?
The molecular weight of Pentafluoropropanoic acid, 4-methoxyphenyl ester is 270.03 g/mol.
Where can I buy Pentafluoropropanoic acid, 4-methoxyphenyl ester?
You can request a quote for Pentafluoropropanoic acid, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoropropanoic acid, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoropropanoic acid, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.