Benzoic acid, 4-nitro-, propyl ester
TL;DR: Benzoic acid, 4-nitro-, propyl ester (CAS 94-22-4) 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.
propyl 4-nitrobenzoate
Also Known As: Propyl 4-nitrobenzoate, n-Propyl p-nitrobenzoate, Propyl p-nitrobenzoate, Benzoic acid, 4-nitro-, propyl ester, Benzoic acid, propyl ester
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 94-22-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KXUOYHZSTGGNCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-nitro-, propyl ester (CAS 94-22-4), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: propyl 4-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 4-nitro-, propyl ester
Property Insights of Benzoic acid, 4-nitro-, propyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-nitro-, propyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-nitro-, propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-nitro-, propyl 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-nitro-, propyl ester?
The CAS number of Benzoic acid, 4-nitro-, propyl ester is 94-22-4.
What is the molecular formula of Benzoic acid, 4-nitro-, propyl ester?
The molecular formula of Benzoic acid, 4-nitro-, propyl ester is C10H11NO4.
What is the molecular weight of Benzoic acid, 4-nitro-, propyl ester?
The molecular weight of Benzoic acid, 4-nitro-, propyl ester is 209.07 g/mol.
Where can I buy Benzoic acid, 4-nitro-, propyl ester?
You can request a quote for Benzoic acid, 4-nitro-, propyl 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-nitro-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-nitro-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.