4-Hydroxy-3-nitrophenylglyoxal
TL;DR: 4-Hydroxy-3-nitrophenylglyoxal (CAS 71222-21-4) is a chemical compound with molecular formula C8H5NO5 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxy-3-nitrophenyl)-2-oxoacetaldehyde
Also Known As: 4-Hydroxy-3-npg, 4-Hydroxy-3-nitrophenylglyoxal, 1-(4-Hydroxy-3-nitrophenyl)glyoxal, 2-(4-hydroxy-3-nitrophenyl)-2-oxoacetaldehyde, (4-Hydroxy-3-nitrophenyl)(oxo)acetaldehyde
| Molecular Formula | C8H5NO5 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.01677 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 71222-21-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C=O)[N+](=O)[O-])O |
| InChIKey | SWDLPMUNWZCZIW-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-nitrophenylglyoxal (CAS 71222-21-4), with molecular formula C8H5NO5 and molecular weight 195.02 g/mol. IUPAC: 2-(4-hydroxy-3-nitrophenyl)-2-oxoacetaldehyde.
Chemical Property Profile of 4-Hydroxy-3-nitrophenylglyoxal
Property Insights of 4-Hydroxy-3-nitrophenylglyoxal
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-nitrophenylglyoxal. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-nitrophenylglyoxal. Following Lipinski's Rule of Five, 4-Hydroxy-3-nitrophenylglyoxal 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 4-Hydroxy-3-nitrophenylglyoxal?
The CAS number of 4-Hydroxy-3-nitrophenylglyoxal is 71222-21-4.
What is the molecular formula of 4-Hydroxy-3-nitrophenylglyoxal?
The molecular formula of 4-Hydroxy-3-nitrophenylglyoxal is C8H5NO5.
What is the molecular weight of 4-Hydroxy-3-nitrophenylglyoxal?
The molecular weight of 4-Hydroxy-3-nitrophenylglyoxal is 195.02 g/mol.
Where can I buy 4-Hydroxy-3-nitrophenylglyoxal?
You can request a quote for 4-Hydroxy-3-nitrophenylglyoxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-nitrophenylglyoxal?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-nitrophenylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.