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 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H13ClN2O5 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 3.3863 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.0513 |
| Heavy Atoms | 24 |
| Complexity | 776.2922 |
Chemical Identifiers
| CAS Number | 1009720-76-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid (CAS 1009720-76-6), with molecular formula C16H13ClN2O5 and molecular weight 348.05 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid.
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 3.3863 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 109.54 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 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-(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 348.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-(3-nitroanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO 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.