Benzoic acid, 4-nitrophenyl ester
TL;DR: Benzoic acid, 4-nitrophenyl ester (CAS 959-22-8) 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-nitrophenyl) benzoate
Also Known As: 4-Nitrophenyl benzoate, p-Nitrophenyl benzoate, (4-nitrophenyl) benzoate, 4-nitrophenylbenzoate, Benzoic acid, 4-nitrophenyl ester
| 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 | 959-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GMKZBFFLCONHDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-nitrophenyl ester (CAS 959-22-8), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: (4-nitrophenyl) benzoate.
Chemical Property Profile of Benzoic acid, 4-nitrophenyl ester
Property Insights of Benzoic acid, 4-nitrophenyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 4-nitrophenyl ester 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 Benzoic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-nitrophenyl ester 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 Benzoic acid, 4-nitrophenyl ester?
The CAS number of Benzoic acid, 4-nitrophenyl ester is 959-22-8.
What is the molecular formula of Benzoic acid, 4-nitrophenyl ester?
The molecular formula of Benzoic acid, 4-nitrophenyl ester is C13H9NO4.
What is the molecular weight of Benzoic acid, 4-nitrophenyl ester?
The molecular weight of Benzoic acid, 4-nitrophenyl ester is 243.05 g/mol.
Where can I buy Benzoic acid, 4-nitrophenyl ester?
You can request a quote for Benzoic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.