Pentafluorobenzoic acid, propyl ester
TL;DR: Pentafluorobenzoic acid, propyl ester (CAS 97649-89-3) is a chemical compound with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,3,4,5,6-pentafluorobenzoate
Also Known As: Propyl pentafluorobenzoate, Pentafluorobenzoic acid, propyl ester, Propyl 2,3,4,5,6-pentafluorobenzoate, Propyl 2,3,4,5,6-pentafluorobenzoate #, 2,3,4,5,6-pentafluoro-benzoic acid, propyl ester
| Molecular Formula | C10H7F5O2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.03662 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 97649-89-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | QZYJMLLSDNHSOD-UHFFFAOYSA-N |
Product Overview
Pentafluorobenzoic acid, propyl ester (CAS 97649-89-3), with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol. IUPAC: propyl 2,3,4,5,6-pentafluorobenzoate.
Chemical Property Profile of Pentafluorobenzoic acid, propyl ester
Property Insights of Pentafluorobenzoic acid, propyl ester
The XLogP value of 3.2 indicates that Pentafluorobenzoic acid, propyl 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, Pentafluorobenzoic acid, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorobenzoic acid, propyl 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 Pentafluorobenzoic acid, propyl ester?
The CAS number of Pentafluorobenzoic acid, propyl ester is 97649-89-3.
What is the molecular formula of Pentafluorobenzoic acid, propyl ester?
The molecular formula of Pentafluorobenzoic acid, propyl ester is C10H7F5O2.
What is the molecular weight of Pentafluorobenzoic acid, propyl ester?
The molecular weight of Pentafluorobenzoic acid, propyl ester is 254.04 g/mol.
Where can I buy Pentafluorobenzoic acid, propyl ester?
You can request a quote for Pentafluorobenzoic acid, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorobenzoic acid, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorobenzoic acid, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.