4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid
TL;DR: 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid (CAS 1030854-83-1) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Also Known As: IFLab1_004910, IDI1_010665, 4-((2,5-dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid, AF-399/15540111, F1124-0117
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 2.91754 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 728.9761 |
Chemical Identifiers
| CAS Number | 1030854-83-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2 |
Product Overview
4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid (CAS 1030854-83-1), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: 4-(2,5-dimethylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid.
Chemical Property Profile of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid
Property Insights of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid
The XLogP value of 2.91754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid has 3 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-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
The CAS number of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid is 1030854-83-1.
What is the molecular formula of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
The molecular formula of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid is C20H24N2O3.
What is the molecular weight of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
The molecular weight of 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid is 340.18 g/mol.
Where can I buy 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
You can request a quote for 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)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-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,5-Dimethylphenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.