4-硝基苯甲酸苯酯
TL;DR: 4-硝基苯甲酸苯酯 (CAS 1429-05-6) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯甲酸苯酯
phenyl 4-nitrobenzoate
Also Known As: phenyl 4-nitrobenzoate, 4-Nitro-benzoic acid phenyl ester, 4-Nitrobenzoic acid, phenyl ester, Benzoic acid, 4-nitro-, phenyl ester, PHENYL-4-NITROBENZOATE
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 1429-05-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LUSSRKMAXZEBEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯甲酸苯酯 (CAS 1429-05-6), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: phenyl 4-nitrobenzoate.
Chemical Property Profile of 4-硝基苯甲酸苯酯
Property Insights of 4-硝基苯甲酸苯酯
The XLogP value of 3.4 indicates that 4-硝基苯甲酸苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯甲酸苯酯. Following Lipinski's Rule of Five, 4-硝基苯甲酸苯酯 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-硝基苯甲酸苯酯?
The CAS number of 4-硝基苯甲酸苯酯 is 1429-05-6.
What is the molecular formula of 4-硝基苯甲酸苯酯?
The molecular formula of 4-硝基苯甲酸苯酯 is C13H9NO4.
What is the molecular weight of 4-硝基苯甲酸苯酯?
The molecular weight of 4-硝基苯甲酸苯酯 is 243.05 g/mol.
Where can I buy 4-硝基苯甲酸苯酯?
You can request a quote for 4-硝基苯甲酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯甲酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯甲酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.