Pentafluorobenzyl propionate
TL;DR: Pentafluorobenzyl propionate (CAS 21634-97-9) 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.
(2,3,4,5,6-pentafluorophenyl)methyl propanoate
Also Known As: PENTAFLUOROBENZYL PROPIONATE, 2,3,4,5,6-PENTAFLUOROBENZYL PROPIONATE, PENTAFLUOROBENZYLPROPIONATE, (2,3,4,5,6-pentafluorophenyl)methyl propanoate, (pentafluorophenyl)methyl propanoate
| Molecular Formula | C10H7F5O2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 2.8353 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03662 |
| Heavy Atoms | 17 |
| Complexity | 429.49487 |
Chemical Identifiers
| CAS Number | 21634-97-9 |
|---|---|
| SMILES | CCC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
Pentafluorobenzyl propionate (CAS 21634-97-9), with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)methyl propanoate.
Chemical Property Profile of Pentafluorobenzyl propionate
Property Insights of Pentafluorobenzyl propionate
The XLogP value of 2.8353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluorobenzyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Pentafluorobenzyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorobenzyl propionate has 0 hydrogen bond donor(s) and 2 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 Pentafluorobenzyl propionate?
The CAS number of Pentafluorobenzyl propionate is 21634-97-9.
What is the molecular formula of Pentafluorobenzyl propionate?
The molecular formula of Pentafluorobenzyl propionate is C10H7F5O2.
What is the molecular weight of Pentafluorobenzyl propionate?
The molecular weight of Pentafluorobenzyl propionate is 254.04 g/mol.
Where can I buy Pentafluorobenzyl propionate?
You can request a quote for Pentafluorobenzyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorobenzyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorobenzyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.