4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
TL;DR: 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid (CAS 1026765-77-4) is a chemical compound with molecular formula C17H24N2O4 and molecular weight 320.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
Also Known As: 4-(2,3-dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid, 4-((2,3-dimethylphenyl)amino)-4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)butanoic acid, 3-(N-2,3-xylylcarbamoyl)-2-{[(perhydro-2-furyl)methyl]amino}propionic acid, 3-[N-(2,3-dimethylphenyl)carbamoyl]-2-[(oxolan-2-ylmethyl)amino]propanoic acid
| Molecular Formula | C17H24N2O4 |
|---|---|
| Molecular Weight | 320.17 g/mol |
| LogP | 1.85384 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.1736 |
| Heavy Atoms | 23 |
| Complexity | 567.71185 |
Chemical Identifiers
| CAS Number | 1026765-77-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CC(C(=O)O)NCC2CCCO2)C |
Product Overview
4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid (CAS 1026765-77-4), with molecular formula C17H24N2O4 and molecular weight 320.17 g/mol. IUPAC: 4-(2,3-dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid.
Chemical Property Profile of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
Property Insights of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
The XLogP value of 1.85384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid has 3 hydrogen bond donor(s) and 4 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-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
The CAS number of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is 1026765-77-4.
What is the molecular formula of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
The molecular formula of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is C17H24N2O4.
What is the molecular weight of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
The molecular weight of 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is 320.17 g/mol.
Where can I buy 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
You can request a quote for 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)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-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-Dimethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.