4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid
TL;DR: 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid (CAS 1009720-76-6) is a chemical compound with molecular formula C16H13ClN2O5 and molecular weight 348.0513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 4-(4-chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid, AA-768/34977008, 4-(4-chlorophenyl)-2-[(3-nitrophenyl)amino]-4-oxobutanoic acid, 4-(4-chlorophenyl)-2-{3-nitroanilino}-4-oxobutanoic acid, 4-(4-chlorophenyl)-2-[(3-nitrophenyl)amino]-4-oxobutanoicacid
Technical Specifications
| Molecular Formula | C16H13ClN2O5 |
| Molecular Weight | 348.0513 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0513 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | PBHIBVXXJCVTPO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid
Property Insights of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid
The XLogP value of 3.9 indicates that 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid?
The CAS number of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid is 1009720-76-6.
What is the molecular formula of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid is C16H13ClN2O5.
What is the molecular weight of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid is 348.0513 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.