![Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester structure](/static/products/114/1147531-07-4.webp)
Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester
TL;DR: Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester (CAS 1147531-07-4) is a chemical compound with molecular formula C17H15BrFNO3 and molecular weight 379.02194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
Also Known As: 2-(2,6-Dimethylanilino)-2-oxoethyl 4-bromo-2-fluorobenzoate, Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester
Technical Specifications
| Molecular Formula | C17H15BrFNO3 |
| Molecular Weight | 379.02194 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.02194 Da |
| Heavy Atoms | 23 |
| Complexity | 424.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F |
| InChIKey | YRVFDAMNZCBQCM-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester
Property Insights of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester
The XLogP value of 4.2 indicates that Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester?
The CAS number of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester is 1147531-07-4.
What is the molecular formula of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester?
The molecular formula of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester is C17H15BrFNO3.
What is the molecular weight of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester?
The molecular weight of Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester is 379.02194 g/mol.
Where can I buy Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester?
You can request a quote for Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.