4-硝基苯甲酸甲酯
TL;DR: 4-硝基苯甲酸甲酯 (CAS 619-50-1) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯甲酸甲酯
methyl 4-nitrobenzoate
Also Known As: Methyl 4-nitrobenzoate, METHYL P-NITROBENZOATE, Methyl-p-nitrobenzoate, Benzoic acid, 4-nitro-, methyl ester, Methyl-4-nitrobenzoate
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 619-50-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯甲酸甲酯 (CAS 619-50-1), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: methyl 4-nitrobenzoate.
Chemical Property Profile of 4-硝基苯甲酸甲酯
Property Insights of 4-硝基苯甲酸甲酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯甲酸甲酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯甲酸甲酯. Following Lipinski's Rule of Five, 4-硝基苯甲酸甲酯 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-硝基苯甲酸甲酯?
The CAS number of 4-硝基苯甲酸甲酯 is 619-50-1.
What is the molecular formula of 4-硝基苯甲酸甲酯?
The molecular formula of 4-硝基苯甲酸甲酯 is C8H7NO4.
What is the molecular weight of 4-硝基苯甲酸甲酯?
The molecular weight of 4-硝基苯甲酸甲酯 is 181.04 g/mol.
Where can I buy 4-硝基苯甲酸甲酯?
You can request a quote for 4-硝基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.