4-Nitrophenylglyoxal
TL;DR: 4-Nitrophenylglyoxal (CAS 4996-22-9) is a chemical compound with molecular formula C8H5NO4 and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-2-oxoacetaldehyde
Also Known As: 4-Nitrophenylglyoxal, p-NITROPHENYLGLYOXAL, 2-(4-nitrophenyl)-2-oxoacetaldehyde, para-Nitrophenylglyoxal, 4-nitrophenyl glyoxal
| Molecular Formula | C8H5NO4 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 4996-22-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=O)[N+](=O)[O-] |
| InChIKey | ILVKBBGIGNSVDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenylglyoxal (CAS 4996-22-9), with molecular formula C8H5NO4 and molecular weight 179.02 g/mol. IUPAC: 2-(4-nitrophenyl)-2-oxoacetaldehyde.
Chemical Property Profile of 4-Nitrophenylglyoxal
Property Insights of 4-Nitrophenylglyoxal
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenylglyoxal. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenylglyoxal. Following Lipinski's Rule of Five, 4-Nitrophenylglyoxal 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-Nitrophenylglyoxal?
The CAS number of 4-Nitrophenylglyoxal is 4996-22-9.
What is the molecular formula of 4-Nitrophenylglyoxal?
The molecular formula of 4-Nitrophenylglyoxal is C8H5NO4.
What is the molecular weight of 4-Nitrophenylglyoxal?
The molecular weight of 4-Nitrophenylglyoxal is 179.02 g/mol.
Where can I buy 4-Nitrophenylglyoxal?
You can request a quote for 4-Nitrophenylglyoxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenylglyoxal?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.