p-Nitrobenzaldoxime
TL;DR: p-Nitrobenzaldoxime (CAS 1129-37-9) is a chemical compound with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-nitrophenyl)methylidene]hydroxylamine
Also Known As: 4-Nitrobenzaldoxime, p-Nitrobenzaldoxime, 4-Nitrobenzaldehyde oxime, 4-nitrophenylnitrone, p-Nitrobenzaldehyde oxime
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 1129-37-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NO)[N+](=O)[O-] |
| InChIKey | WTLPAVBACRIHHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Nitrobenzaldoxime (CAS 1129-37-9), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: N-[(4-nitrophenyl)methylidene]hydroxylamine.
Chemical Property Profile of p-Nitrobenzaldoxime
Property Insights of p-Nitrobenzaldoxime
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrobenzaldoxime. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrobenzaldoxime. Following Lipinski's Rule of Five, p-Nitrobenzaldoxime has 1 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 p-Nitrobenzaldoxime?
The CAS number of p-Nitrobenzaldoxime is 1129-37-9.
What is the molecular formula of p-Nitrobenzaldoxime?
The molecular formula of p-Nitrobenzaldoxime is C7H6N2O3.
What is the molecular weight of p-Nitrobenzaldoxime?
The molecular weight of p-Nitrobenzaldoxime is 166.04 g/mol.
Where can I buy p-Nitrobenzaldoxime?
You can request a quote for p-Nitrobenzaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzaldoxime?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.