2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid
TL;DR: 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid (CAS 212628-44-9) is a chemical compound with molecular formula C14H9F3INO2 and molecular weight 406.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid
Also Known As: ethyl 2-thiazoloyl-acetate, 3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid, 2-(4-iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid, 2-(4-iodo-2-methyl-phenylamino)-3,4,5-trifluoro-benzoic acid, 3,4,5-trifluoro-2-[(4-iodo-2-methyl-phenyl)amino]benzoic Acid
| Molecular Formula | C14H9F3INO2 |
|---|---|
| Molecular Weight | 406.96 g/mol |
| LogP | 4.45872 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.963 |
| Heavy Atoms | 21 |
| Complexity | 734.6444 |
Chemical Identifiers
| CAS Number | 212628-44-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)O)F)F)F |
Product Overview
2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid (CAS 212628-44-9), with molecular formula C14H9F3INO2 and molecular weight 406.96 g/mol. IUPAC: 3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid.
Chemical Property Profile of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid
Property Insights of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid
The XLogP value of 4.45872 indicates that 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid has 2 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-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid?
The CAS number of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid is 212628-44-9.
What is the molecular formula of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid?
The molecular formula of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid is C14H9F3INO2.
What is the molecular weight of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid?
The molecular weight of 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid is 406.96 g/mol.
Where can I buy 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid?
You can request a quote for 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Iodo-2-methylphenylamino)-3,4,5-trifluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.