2-(4-Nitrophenyl)butyric acid
TL;DR: 2-(4-Nitrophenyl)butyric acid (CAS 7463-53-8) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)butanoic acid
Also Known As: 2-(4-Nitrophenyl)butyric acid, 2-(4-nitrophenyl)butanoic acid, null, 2-(p-Nitrophenyl)butyric acid, Indobufen Impurity 19
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 7463-53-8 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | XBGNOMBPRQVJSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenyl)butyric acid (CAS 7463-53-8), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2-(4-nitrophenyl)butanoic acid.
Chemical Property Profile of 2-(4-Nitrophenyl)butyric acid
Property Insights of 2-(4-Nitrophenyl)butyric acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)butyric acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)butyric acid. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)butyric acid has 1 hydrogen bond donor(s) and 4 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 2-(4-Nitrophenyl)butyric acid?
The CAS number of 2-(4-Nitrophenyl)butyric acid is 7463-53-8.
What is the molecular formula of 2-(4-Nitrophenyl)butyric acid?
The molecular formula of 2-(4-Nitrophenyl)butyric acid is C10H11NO4.
What is the molecular weight of 2-(4-Nitrophenyl)butyric acid?
The molecular weight of 2-(4-Nitrophenyl)butyric acid is 209.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)butyric acid?
You can request a quote for 2-(4-Nitrophenyl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.