![5-[2-(Trifluoromethyl)phenyl]furfural structure](/static/products/940/94098-56-3.png)
5-[2-(Trifluoromethyl)phenyl]furfural
TL;DR: 5-[2-(Trifluoromethyl)phenyl]furfural (CAS 94098-56-3) is a chemical compound with molecular formula C12H7F3O2 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
Also Known As: 5-[2-(Trifluoromethyl)phenyl]furfural, 5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde, 5-[2-(trifluoromethyl)phenyl]-2-furaldehyde, 5-(2-(trifluoromethyl)phenyl)furan-2-carbaldehyde, 5-(2-trifluoromethylphenyl)furfural
| Molecular Formula | C12H7F3O2 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.03981 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 94098-56-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(F)(F)F |
| InChIKey | BECHPBVVELWRBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[2-(Trifluoromethyl)phenyl]furfural (CAS 94098-56-3), with molecular formula C12H7F3O2 and molecular weight 240.04 g/mol. IUPAC: 5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
Chemical Property Profile of 5-[2-(Trifluoromethyl)phenyl]furfural
Property Insights of 5-[2-(Trifluoromethyl)phenyl]furfural
The XLogP value of 3.3 indicates that 5-[2-(Trifluoromethyl)phenyl]furfural is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, 5-[2-(Trifluoromethyl)phenyl]furfural exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(Trifluoromethyl)phenyl]furfural has 0 hydrogen bond donor(s) and 5 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 5-[2-(Trifluoromethyl)phenyl]furfural?
The CAS number of 5-[2-(Trifluoromethyl)phenyl]furfural is 94098-56-3.
What is the molecular formula of 5-[2-(Trifluoromethyl)phenyl]furfural?
The molecular formula of 5-[2-(Trifluoromethyl)phenyl]furfural is C12H7F3O2.
What is the molecular weight of 5-[2-(Trifluoromethyl)phenyl]furfural?
The molecular weight of 5-[2-(Trifluoromethyl)phenyl]furfural is 240.04 g/mol.
Where can I buy 5-[2-(Trifluoromethyl)phenyl]furfural?
You can request a quote for 5-[2-(Trifluoromethyl)phenyl]furfural directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(Trifluoromethyl)phenyl]furfural?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(Trifluoromethyl)phenyl]furfural and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.