Pentafluoropropionic acid, 4-methoxybenzyl ester
TL;DR: Pentafluoropropionic acid, 4-methoxybenzyl ester (CAS 959078-97-8) is a chemical compound with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: 4-methoxybenzyl pentafluoropropanoate, Pentafluoropropionic acid, 4-methoxybenzyl ester, Pentafluoropropionic acid 4-methoxybenzyl ester, 4-Methoxybenzyl 2,2,3,3,3-pentafluoropropanoate #, (4-methoxyphenyl)methyl 2,2,3,3,3-pentafluoropropanoate
| Molecular Formula | C11H9F5O3 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.04718 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 959078-97-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC(=O)C(C(F)(F)F)(F)F |
| InChIKey | UAPXHPOOBVXKMD-UHFFFAOYSA-N |
Product Overview
Pentafluoropropionic acid, 4-methoxybenzyl ester (CAS 959078-97-8), with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol. IUPAC: (4-methoxyphenyl)methyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Pentafluoropropionic acid, 4-methoxybenzyl ester
Property Insights of Pentafluoropropionic acid, 4-methoxybenzyl ester
The XLogP value of 3.4 indicates that Pentafluoropropionic acid, 4-methoxybenzyl 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, Pentafluoropropionic acid, 4-methoxybenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoropropionic acid, 4-methoxybenzyl 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 Pentafluoropropionic acid, 4-methoxybenzyl ester?
The CAS number of Pentafluoropropionic acid, 4-methoxybenzyl ester is 959078-97-8.
What is the molecular formula of Pentafluoropropionic acid, 4-methoxybenzyl ester?
The molecular formula of Pentafluoropropionic acid, 4-methoxybenzyl ester is C11H9F5O3.
What is the molecular weight of Pentafluoropropionic acid, 4-methoxybenzyl ester?
The molecular weight of Pentafluoropropionic acid, 4-methoxybenzyl ester is 284.05 g/mol.
Where can I buy Pentafluoropropionic acid, 4-methoxybenzyl ester?
You can request a quote for Pentafluoropropionic acid, 4-methoxybenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoropropionic acid, 4-methoxybenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoropropionic acid, 4-methoxybenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.