![3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid structure](/static/products/3408/340826-17-7.webp)
3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
TL;DR: 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid (CAS 340826-17-7) is a chemical compound with molecular formula C19H18F3NO3 and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Also Known As: AB00115645-01, AB00115645-03, AJ-292/40711413, 3-(4-methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid, 3-[(4-methylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
| Molecular Formula | C19H18F3NO3 |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 4.28592 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.12387 |
| Heavy Atoms | 26 |
| Complexity | 785.3615 |
Chemical Identifiers
| CAS Number | 340826-17-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid (CAS 340826-17-7), with molecular formula C19H18F3NO3 and molecular weight 365.12 g/mol. IUPAC: 3-[(4-methylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid.
Chemical Property Profile of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Property Insights of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
The XLogP value of 4.28592 indicates that 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid. Following Lipinski's Rule of Five, 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic 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 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
The CAS number of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is 340826-17-7.
What is the molecular formula of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
The molecular formula of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is C19H18F3NO3.
What is the molecular weight of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
The molecular weight of 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is 365.12 g/mol.
Where can I buy 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
You can request a quote for 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylbenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.