Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
TL;DR: Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- (CAS 2044-53-3) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-4-(2-aminophenyl)-4-oxobutanoic acid
Also Known As: Acetylkynurenine, Acetyl kynurenine, N-Acetylkynurenin, Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-, 2-acetamido-4-(2-aminophenyl)-4-oxobutanoic acid
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.4309 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 484.72067 |
Chemical Identifiers
| CAS Number | 2044-53-3 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)C1=CC=CC=C1N)C(=O)O |
Product Overview
Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- (CAS 2044-53-3), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 2-acetamido-4-(2-aminophenyl)-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
Property Insights of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
The XLogP value of 0.4309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-. Following Lipinski's Rule of Five, Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- 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 Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-?
The CAS number of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- is 2044-53-3.
What is the molecular formula of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- is C12H14N2O4.
What is the molecular weight of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- is 250.10 g/mol.
Where can I buy Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.