4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid
TL;DR: 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid (CAS 302801-89-4) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid
Also Known As: 4-(2,4-dimethylanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid, 3-[(2,4-dimethylphenyl)carbamoyl]-3-(oxolan-2-yl)propanoic Acid, 4-((2,4-dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid, 4-[(2,4-dimethylphenyl)amino]-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.51184 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 535.07855 |
Chemical Identifiers
| CAS Number | 302801-89-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C(CC(=O)O)C2CCCO2)C |
Product Overview
4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid (CAS 302801-89-4), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 4-(2,4-dimethylanilino)-4-oxo-3-(oxolan-2-yl)butanoic acid.
Chemical Property Profile of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid
Property Insights of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid
The XLogP value of 2.51184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid. Following Lipinski's Rule of Five, 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid has 2 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 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid?
The CAS number of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid is 302801-89-4.
What is the molecular formula of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid?
The molecular formula of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid is C16H21NO4.
What is the molecular weight of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid?
The molecular weight of 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid is 291.15 g/mol.
Where can I buy 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid?
You can request a quote for 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-Dimethylphenyl)amino)-4-oxo-3-(tetrahydrofuran-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.