3,4-Difluorobenzyl alcohol
TL;DR: 3,4-Difluorobenzyl alcohol (CAS 85118-05-4) is a chemical compound with molecular formula C7H6F2O and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-difluorophenyl)methanol
Also Known As: 3,4-Difluorobenzyl alcohol, (3,4-Difluorophenyl)methanol, Benzenemethanol, 3,4-difluoro-, 3,4-difluorobenzylalcohol, (3,4-difluoro-phenyl)-methanol
| Molecular Formula | C7H6F2O |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.03867 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 85118-05-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CO)F)F |
| InChIKey | GNQLTCVBSGVGHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Difluorobenzyl alcohol (CAS 85118-05-4), with molecular formula C7H6F2O and molecular weight 144.04 g/mol. IUPAC: (3,4-difluorophenyl)methanol.
Chemical Property Profile of 3,4-Difluorobenzyl alcohol
Property Insights of 3,4-Difluorobenzyl alcohol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Difluorobenzyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-Difluorobenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Difluorobenzyl alcohol has 1 hydrogen bond donor(s) and 3 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 3,4-Difluorobenzyl alcohol?
The CAS number of 3,4-Difluorobenzyl alcohol is 85118-05-4.
What is the molecular formula of 3,4-Difluorobenzyl alcohol?
The molecular formula of 3,4-Difluorobenzyl alcohol is C7H6F2O.
What is the molecular weight of 3,4-Difluorobenzyl alcohol?
The molecular weight of 3,4-Difluorobenzyl alcohol is 144.04 g/mol.
Where can I buy 3,4-Difluorobenzyl alcohol?
You can request a quote for 3,4-Difluorobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Difluorobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.