Benzeneacetic acid, (pentafluorophenyl)methyl ester
TL;DR: Benzeneacetic acid, (pentafluorophenyl)methyl ester (CAS 62434-94-0) is a chemical compound with molecular formula C15H9F5O2 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl)methyl 2-phenylacetate
Also Known As: Phenylacetic acid pentafluorobenzyl ester, (Pentafluorophenyl)methyl phenylacetate, Benzeneacetic acid, (pentafluorophenyl)methyl ester, (2,3,4,5,6-pentafluorophenyl)methyl 2-phenylacetate, 2,3,4,5,6-Pentafluorobenzyl phenylacetate #
| Molecular Formula | C15H9F5O2 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.05228 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 62434-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | LHCDMGVACZKSSW-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, (pentafluorophenyl)methyl ester (CAS 62434-94-0), with molecular formula C15H9F5O2 and molecular weight 316.05 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)methyl 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, (pentafluorophenyl)methyl ester
Property Insights of Benzeneacetic acid, (pentafluorophenyl)methyl ester
The XLogP value of 3.7 indicates that Benzeneacetic acid, (pentafluorophenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, (pentafluorophenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, (pentafluorophenyl)methyl ester has 0 hydrogen bond donor(s) and 7 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, (pentafluorophenyl)methyl ester?
The CAS number of Benzeneacetic acid, (pentafluorophenyl)methyl ester is 62434-94-0.
What is the molecular formula of Benzeneacetic acid, (pentafluorophenyl)methyl ester?
The molecular formula of Benzeneacetic acid, (pentafluorophenyl)methyl ester is C15H9F5O2.
What is the molecular weight of Benzeneacetic acid, (pentafluorophenyl)methyl ester?
The molecular weight of Benzeneacetic acid, (pentafluorophenyl)methyl ester is 316.05 g/mol.
Where can I buy Benzeneacetic acid, (pentafluorophenyl)methyl ester?
You can request a quote for Benzeneacetic acid, (pentafluorophenyl)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, (pentafluorophenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, (pentafluorophenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.