Benzenepropanoic acid, (pentafluorophenyl)methyl ester
TL;DR: Benzenepropanoic acid, (pentafluorophenyl)methyl ester (CAS 62434-95-1) is a chemical compound with molecular formula C16H11F5O2 and molecular weight 330.07 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 3-phenylpropanoate
Also Known As: Phenylpropionic acid pentafluorobenzyl ester, (Pentafluorophenyl)methyl 3-phenylpropanoate, Benzenepropanoic acid, (pentafluorophenyl)methyl ester, (2,3,4,5,6-pentafluorophenyl)methyl 3-phenylpropanoate, Benzenepropanoic acid pentafluorophenylmethyl ester
| Molecular Formula | C16H11F5O2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.06793 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 62434-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | IMTGKJWRENJJDC-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, (pentafluorophenyl)methyl ester (CAS 62434-95-1), with molecular formula C16H11F5O2 and molecular weight 330.07 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)methyl 3-phenylpropanoate.
Chemical Property Profile of Benzenepropanoic acid, (pentafluorophenyl)methyl ester
Property Insights of Benzenepropanoic acid, (pentafluorophenyl)methyl ester
The XLogP value of 4.0 indicates that Benzenepropanoic 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, Benzenepropanoic acid, (pentafluorophenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic 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 Benzenepropanoic acid, (pentafluorophenyl)methyl ester?
The CAS number of Benzenepropanoic acid, (pentafluorophenyl)methyl ester is 62434-95-1.
What is the molecular formula of Benzenepropanoic acid, (pentafluorophenyl)methyl ester?
The molecular formula of Benzenepropanoic acid, (pentafluorophenyl)methyl ester is C16H11F5O2.
What is the molecular weight of Benzenepropanoic acid, (pentafluorophenyl)methyl ester?
The molecular weight of Benzenepropanoic acid, (pentafluorophenyl)methyl ester is 330.07 g/mol.
Where can I buy Benzenepropanoic acid, (pentafluorophenyl)methyl ester?
You can request a quote for Benzenepropanoic 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 Benzenepropanoic acid, (pentafluorophenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, (pentafluorophenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.