Amino 4-nitrobenzoate
TL;DR: Amino 4-nitrobenzoate (CAS 35657-36-4) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino 4-nitrobenzoate
Also Known As: O-(4-Nitrobenzoyl)hydroxylamine, amino 4-nitrobenzoate, NbzONH2, p-nitrobenzoyloxyamine, O-(4-Nitrobenzoyl);hydroxylamine
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 35657-36-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)ON)[N+](=O)[O-] |
| InChIKey | VTKRSTQMGNRMHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amino 4-nitrobenzoate (CAS 35657-36-4), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: amino 4-nitrobenzoate.
Chemical Property Profile of Amino 4-nitrobenzoate
Property Insights of Amino 4-nitrobenzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amino 4-nitrobenzoate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Amino 4-nitrobenzoate. Following Lipinski's Rule of Five, Amino 4-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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 Amino 4-nitrobenzoate?
The CAS number of Amino 4-nitrobenzoate is 35657-36-4.
What is the molecular formula of Amino 4-nitrobenzoate?
The molecular formula of Amino 4-nitrobenzoate is C7H6N2O4.
What is the molecular weight of Amino 4-nitrobenzoate?
The molecular weight of Amino 4-nitrobenzoate is 182.03 g/mol.
Where can I buy Amino 4-nitrobenzoate?
You can request a quote for Amino 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amino 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Amino 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.