2,3,4,5,6-Pentafluorobenzyl Alcohol
TL;DR: 2,3,4,5,6-Pentafluorobenzyl Alcohol (CAS 440-60-8) is a chemical compound with molecular formula C7H3F5O and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl)methanol
Also Known As: 2,3,4,5,6-Pentafluorobenzyl alcohol, (Perfluorophenyl)methanol, Pentafluorobenzyl alcohol, (Pentafluorophenyl)methanol, (2,3,4,5,6-Pentafluorophenyl)methanol
| Molecular Formula | C7H3F5O |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0104 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| Melting Point | 37.5 |
| Boiling Point | 181 |
Chemical Identifiers
| CAS Number | 440-60-8 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)O |
| InChIKey | PGJYYCIOYBZTPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5,6-Pentafluorobenzyl Alcohol (CAS 440-60-8), with molecular formula C7H3F5O and molecular weight 198.01 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)methanol.
Chemical Property Profile of 2,3,4,5,6-Pentafluorobenzyl Alcohol
Property Insights of 2,3,4,5,6-Pentafluorobenzyl Alcohol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6-Pentafluorobenzyl Alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3,4,5,6-Pentafluorobenzyl Alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentafluorobenzyl Alcohol has 1 hydrogen bond donor(s) and 6 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 2,3,4,5,6-Pentafluorobenzyl Alcohol?
The CAS number of 2,3,4,5,6-Pentafluorobenzyl Alcohol is 440-60-8.
What is the molecular formula of 2,3,4,5,6-Pentafluorobenzyl Alcohol?
The molecular formula of 2,3,4,5,6-Pentafluorobenzyl Alcohol is C7H3F5O.
What is the molecular weight of 2,3,4,5,6-Pentafluorobenzyl Alcohol?
The molecular weight of 2,3,4,5,6-Pentafluorobenzyl Alcohol is 198.01 g/mol.
Where can I buy 2,3,4,5,6-Pentafluorobenzyl Alcohol?
You can request a quote for 2,3,4,5,6-Pentafluorobenzyl Alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentafluorobenzyl Alcohol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentafluorobenzyl Alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.