4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid
TL;DR: 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid (CAS 313659-33-5) is a chemical compound with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid
Also Known As: 4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid, AH-034/08827004, 3-[(2-methoxy-5-nitro-phenyl)carbamoyl]propanoic Acid, 4-((2-methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid, 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoic acid
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 1.4067 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 513.9069 |
Chemical Identifiers
| CAS Number | 313659-33-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)O |
Product Overview
4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid (CAS 313659-33-5), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: 4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid
Property Insights of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid
The XLogP value of 1.4067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid?
The CAS number of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid is 313659-33-5.
What is the molecular formula of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid is C11H12N2O6.
What is the molecular weight of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid is 268.07 g/mol.
Where can I buy 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic 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-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Methoxy-5-nitrophenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.