4-硝基苯甲酸乙酯
TL;DR: 4-硝基苯甲酸乙酯 (CAS 99-77-4) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯甲酸乙酯
ethyl 4-nitrobenzoate
Also Known As: Ethyl 4-nitrobenzoate, Ethyl p-nitrobenzoate, 4-Nitrobenzoic acid ethyl ester, Tazasubrate, ETHYL-P-NITROBENZOATE
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 99-77-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PHWSCBWNPZDYRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯甲酸乙酯 (CAS 99-77-4), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: ethyl 4-nitrobenzoate.
Chemical Property Profile of 4-硝基苯甲酸乙酯
Property Insights of 4-硝基苯甲酸乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯甲酸乙酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯甲酸乙酯. Following Lipinski's Rule of Five, 4-硝基苯甲酸乙酯 has 0 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-硝基苯甲酸乙酯?
The CAS number of 4-硝基苯甲酸乙酯 is 99-77-4.
What is the molecular formula of 4-硝基苯甲酸乙酯?
The molecular formula of 4-硝基苯甲酸乙酯 is C9H9NO4.
What is the molecular weight of 4-硝基苯甲酸乙酯?
The molecular weight of 4-硝基苯甲酸乙酯 is 195.05 g/mol.
Where can I buy 4-硝基苯甲酸乙酯?
You can request a quote for 4-硝基苯甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.