2-Phenylethyl pentafluorobenzoate
TL;DR: 2-Phenylethyl pentafluorobenzoate (CAS 81089-50-1) 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-phenylethyl 2,3,4,5,6-pentafluorobenzoate
Also Known As: 2-Phenylethyl pentafluorobenzoate, Pentafluorobenzoic acid phenethyl ester, Benzoic acid, pentafluoro-, 2-phenylethyl ester, phenethyl 2,3,4,5,6-pentafluorobenzoate, J2.072.769A
| Molecular Formula | C15H9F5O2 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 4.2 |
| 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 | 81089-50-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | ZGQUWVXUEJTWJW-UHFFFAOYSA-N |
Product Overview
2-Phenylethyl pentafluorobenzoate (CAS 81089-50-1), with molecular formula C15H9F5O2 and molecular weight 316.05 g/mol. IUPAC: 2-phenylethyl 2,3,4,5,6-pentafluorobenzoate.
Chemical Property Profile of 2-Phenylethyl pentafluorobenzoate
Property Insights of 2-Phenylethyl pentafluorobenzoate
The XLogP value of 4.2 indicates that 2-Phenylethyl pentafluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl pentafluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl pentafluorobenzoate 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 2-Phenylethyl pentafluorobenzoate?
The CAS number of 2-Phenylethyl pentafluorobenzoate is 81089-50-1.
What is the molecular formula of 2-Phenylethyl pentafluorobenzoate?
The molecular formula of 2-Phenylethyl pentafluorobenzoate is C15H9F5O2.
What is the molecular weight of 2-Phenylethyl pentafluorobenzoate?
The molecular weight of 2-Phenylethyl pentafluorobenzoate is 316.05 g/mol.
Where can I buy 2-Phenylethyl pentafluorobenzoate?
You can request a quote for 2-Phenylethyl pentafluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl pentafluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl pentafluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.