2-Methoxy-4-(trifluoromethyl)benzoic acid
TL;DR: 2-Methoxy-4-(trifluoromethyl)benzoic acid (CAS 448-36-2) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-(trifluoromethyl)benzoic acid
Also Known As: 2-methoxy-4-(trifluoromethyl)benzoic acid, 2-(quinoxalin-6-yl)acetonitrile, 4-Carboxy-3-methoxybenzotrifluoride, 2-Carboxy-5-(trifluoromethyl)anisole, 2-Methoxy-4-trifluoromethyl-benzoic acid
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.4122 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 384.67923 |
Chemical Identifiers
| CAS Number | 448-36-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(F)(F)F)C(=O)O |
Product Overview
2-Methoxy-4-(trifluoromethyl)benzoic acid (CAS 448-36-2), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: 2-methoxy-4-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 2-Methoxy-4-(trifluoromethyl)benzoic acid
Property Insights of 2-Methoxy-4-(trifluoromethyl)benzoic acid
The XLogP value of 2.4122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(trifluoromethyl)benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Methoxy-4-(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(trifluoromethyl)benzoic acid has 1 hydrogen bond donor(s) and 2 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-(trifluoromethyl)benzoic acid?
The CAS number of 2-Methoxy-4-(trifluoromethyl)benzoic acid is 448-36-2.
What is the molecular formula of 2-Methoxy-4-(trifluoromethyl)benzoic acid?
The molecular formula of 2-Methoxy-4-(trifluoromethyl)benzoic acid is C9H7F3O3.
What is the molecular weight of 2-Methoxy-4-(trifluoromethyl)benzoic acid?
The molecular weight of 2-Methoxy-4-(trifluoromethyl)benzoic acid is 220.03 g/mol.
Where can I buy 2-Methoxy-4-(trifluoromethyl)benzoic acid?
You can request a quote for 2-Methoxy-4-(trifluoromethyl)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-(trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.