4-(4-硝基苯基)丁酸
TL;DR: 4-(4-硝基苯基)丁酸 (CAS 5600-62-4) 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.
4-(4-硝基苯基)丁酸
4-(4-nitrophenyl)butanoic acid
Also Known As: 4-(4-Nitrophenyl)butyric acid, 4-(4-Nitrophenyl)butanoic acid, 4-Nitrobenzenebutanoic acid, 4-(4-Nitro-phenyl)-butyric acid, 4-(p-Nitrophenyl)butyric acid
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5600-62-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-] |
| InChIKey | WQMLUHZFRFCQDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-硝基苯基)丁酸 (CAS 5600-62-4), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 4-(4-nitrophenyl)butanoic acid.
Chemical Property Profile of 4-(4-硝基苯基)丁酸
Property Insights of 4-(4-硝基苯基)丁酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-硝基苯基)丁酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-硝基苯基)丁酸. Following Lipinski's Rule of Five, 4-(4-硝基苯基)丁酸 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 4-(4-硝基苯基)丁酸?
The CAS number of 4-(4-硝基苯基)丁酸 is 5600-62-4.
What is the molecular formula of 4-(4-硝基苯基)丁酸?
The molecular formula of 4-(4-硝基苯基)丁酸 is C10H11NO4.
What is the molecular weight of 4-(4-硝基苯基)丁酸?
The molecular weight of 4-(4-硝基苯基)丁酸 is 209.07 g/mol.
Where can I buy 4-(4-硝基苯基)丁酸?
You can request a quote for 4-(4-硝基苯基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-硝基苯基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-硝基苯基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.