![4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid structure](/static/products/5816/58161-93-6.webp)
4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
TL;DR: 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid (CAS 58161-93-6) is a chemical compound with molecular formula C20H19Cl2NO5 and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
Also Known As: BARIUMHYDROXIDEOCTAHYDRATE, LABOTEST-BB LT00441243, benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, 2-(4-CARBOXYPHENOXY)-2-PIVALOYL-2',4'-DICHLOROACETANILIDE, 4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
| Molecular Formula | C20H19Cl2NO5 |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.06403 |
| Heavy Atoms | 28 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 58161-93-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC2=CC=C(C=C2)C(=O)O |
| InChIKey | SJDRWLQBNZCZBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid (CAS 58161-93-6), with molecular formula C20H19Cl2NO5 and molecular weight 423.06 g/mol. IUPAC: 4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid.
Chemical Property Profile of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
Property Insights of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
The XLogP value of 5.5 indicates that 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid. Following Lipinski's Rule of Five, 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid?
The CAS number of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid is 58161-93-6.
What is the molecular formula of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid?
The molecular formula of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid is C20H19Cl2NO5.
What is the molecular weight of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid?
The molecular weight of 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid is 423.06 g/mol.
Where can I buy 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid?
You can request a quote for 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.