3,4-Difluorophenyl acetate
TL;DR: 3,4-Difluorophenyl acetate (CAS 199586-66-8) is a chemical compound with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-difluorophenyl) acetate
Also Known As: 3,4-difluorophenyl acetate, (3,4-difluorophenyl) acetate, Phenol, 2,4-difluoro-, acetate, Phenol,2,4-difluoro-,acetate
| Molecular Formula | C8H6F2O2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03358 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 199586-66-8 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)F)F |
| InChIKey | SCDFAHSIYYBVTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Difluorophenyl acetate (CAS 199586-66-8), with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol. IUPAC: (3,4-difluorophenyl) acetate.
Chemical Property Profile of 3,4-Difluorophenyl acetate
Property Insights of 3,4-Difluorophenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Difluorophenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Difluorophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Difluorophenyl acetate has 0 hydrogen bond donor(s) and 4 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-Difluorophenyl acetate?
The CAS number of 3,4-Difluorophenyl acetate is 199586-66-8.
What is the molecular formula of 3,4-Difluorophenyl acetate?
The molecular formula of 3,4-Difluorophenyl acetate is C8H6F2O2.
What is the molecular weight of 3,4-Difluorophenyl acetate?
The molecular weight of 3,4-Difluorophenyl acetate is 172.03 g/mol.
Where can I buy 3,4-Difluorophenyl acetate?
You can request a quote for 3,4-Difluorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Difluorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.