5-(3-(Trifluoromethyl)phenyl)-2-furoic acid
TL;DR: 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid (CAS 54022-99-0) is a chemical compound with molecular formula C12H7F3O3 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid
Also Known As: 5-(3-(Trifluoromethyl)phenyl)furan-2-carboxylic acid, 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid, 5-[3-(Trifluoromethyl)phenyl]-2-furoic acid, RARECHEM AL BE 0808, 5-(3-Trifluoromethylphenyl)furan-2-carboxylic acid
| Molecular Formula | C12H7F3O3 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03473 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 54022-99-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)O |
| InChIKey | ADRFTNFHVKVATK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-(Trifluoromethyl)phenyl)-2-furoic acid (CAS 54022-99-0), with molecular formula C12H7F3O3 and molecular weight 256.03 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid
Property Insights of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid
The XLogP value of 3.4 indicates that 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid 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 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid?
The CAS number of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid is 54022-99-0.
What is the molecular formula of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid?
The molecular formula of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid is C12H7F3O3.
What is the molecular weight of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid?
The molecular weight of 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid is 256.03 g/mol.
Where can I buy 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid?
You can request a quote for 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.