4-(4-Nitrophenyl)-4-oxobutanoic acid
TL;DR: 4-(4-Nitrophenyl)-4-oxobutanoic acid (CAS 151519-44-7) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-nitrophenyl)-4-oxobutanoic acid
Also Known As: 4-(4-nitrophenyl)-4-oxobutanoic acid, Benzenebutanoic acid,4-nitro-g-oxo, Benzenebutanoic acid,4-nitro-g-oxo-, 4-(4-nitrophenyl)-4-oxobutanoicacid, 4-(4-nitrophenyl)-4-oxobutyric acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO5 |
| Molecular Weight | 223.04807 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)[N+](=O)[O-] |
| InChIKey | NVQAKPKZYJWBTP-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Nitrophenyl)-4-oxobutanoic acid
Property Insights of 4-(4-Nitrophenyl)-4-oxobutanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Nitrophenyl)-4-oxobutanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrophenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Nitrophenyl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 5 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-Nitrophenyl)-4-oxobutanoic acid?
The CAS number of 4-(4-Nitrophenyl)-4-oxobutanoic acid is 151519-44-7.
What is the molecular formula of 4-(4-Nitrophenyl)-4-oxobutanoic acid?
The molecular formula of 4-(4-Nitrophenyl)-4-oxobutanoic acid is C10H9NO5.
What is the molecular weight of 4-(4-Nitrophenyl)-4-oxobutanoic acid?
The molecular weight of 4-(4-Nitrophenyl)-4-oxobutanoic acid is 223.04807 g/mol.
Where can I buy 4-(4-Nitrophenyl)-4-oxobutanoic acid?
You can request a quote for 4-(4-Nitrophenyl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Nitrophenyl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Nitrophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.