3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid
TL;DR: 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid (CAS 41149-01-3) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid
Also Known As: Acetyl-L-aspartic 4-nitroanilide, 3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid, 3-acetamido-3-[(4-nitrophenyl)carbamoyl]propanoic Acid, (3S)-3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 0.5127 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 552.8604 |
Chemical Identifiers
| CAS Number | 41149-01-3 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid (CAS 41149-01-3), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: 3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid
Property Insights of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid
The XLogP value of 0.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid has 3 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 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid?
The CAS number of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid is 41149-01-3.
What is the molecular formula of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid is C12H13N3O6.
What is the molecular weight of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid is 295.08 g/mol.
Where can I buy 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 3-Acetamido-4-(4-nitroanilino)-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 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-4-(4-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.