2-Methoxy-4-(trifluoromethoxy)benzoic acid
TL;DR: 2-Methoxy-4-(trifluoromethoxy)benzoic acid (CAS 848950-07-2) is a chemical compound with molecular formula C9H7F3O4 and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-(trifluoromethoxy)benzoic acid
Also Known As: 2-methoxy-4-(trifluoromethoxy)benzoic Acid, Benzoic acid, 2-methoxy-4-(trifluoromethoxy)-, 2-Methoxy-4-trifluoromethoxy-benzoic acid, 2-methoxy-4-(trifluoromethoxy)benzoicAcid, 2-methoxy-4-(trifluoromethoxy)-benzoic acid
| Molecular Formula | C9H7F3O4 |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.292 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.02965 |
| Heavy Atoms | 16 |
| Complexity | 400.23083 |
Chemical Identifiers
| CAS Number | 848950-07-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)OC(F)(F)F)C(=O)O |
Product Overview
2-Methoxy-4-(trifluoromethoxy)benzoic acid (CAS 848950-07-2), with molecular formula C9H7F3O4 and molecular weight 236.03 g/mol. IUPAC: 2-methoxy-4-(trifluoromethoxy)benzoic acid.
Chemical Property Profile of 2-Methoxy-4-(trifluoromethoxy)benzoic acid
Property Insights of 2-Methoxy-4-(trifluoromethoxy)benzoic acid
The XLogP value of 2.292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(trifluoromethoxy)benzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-Methoxy-4-(trifluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(trifluoromethoxy)benzoic acid 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 2-Methoxy-4-(trifluoromethoxy)benzoic acid?
The CAS number of 2-Methoxy-4-(trifluoromethoxy)benzoic acid is 848950-07-2.
What is the molecular formula of 2-Methoxy-4-(trifluoromethoxy)benzoic acid?
The molecular formula of 2-Methoxy-4-(trifluoromethoxy)benzoic acid is C9H7F3O4.
What is the molecular weight of 2-Methoxy-4-(trifluoromethoxy)benzoic acid?
The molecular weight of 2-Methoxy-4-(trifluoromethoxy)benzoic acid is 236.03 g/mol.
Where can I buy 2-Methoxy-4-(trifluoromethoxy)benzoic acid?
You can request a quote for 2-Methoxy-4-(trifluoromethoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(trifluoromethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(trifluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.