![Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester structure](/static/products/114/1147531-07-4.png)
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 379.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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
| Molecular Formula | C17H15BrFNO3 |
|---|---|
| Molecular Weight | 379.02 g/mol |
| LogP | 4.00054 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.02194 |
| Heavy Atoms | 23 |
| Complexity | 741.24884 |
Chemical Identifiers
| CAS Number | 1147531-07-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F |
Product Overview
Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester (CAS 1147531-07-4), with molecular formula C17H15BrFNO3 and molecular weight 379.02 g/mol. IUPAC: [2-(2,6-dimethylanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate.
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 4.00054 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 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 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 379.02 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-bromo-2-fluoro-, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester?
Yes, KEHONG BIO 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.