5-羟基-2-硝基苯甲醛
TL;DR: 5-羟基-2-硝基苯甲醛 (CAS 42454-06-8) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-2-硝基苯甲醛
5-hydroxy-2-nitrobenzaldehyde
Also Known As: 5-Hydroxy-2-nitrobenzaldehyde, 3-Formyl-4-nitrophenol, null, 6-Nitro-3-hydroxybenzaldehyde, 2-Nitro-5-hydroxybenzaldehyde
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 42454-06-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)C=O)[N+](=O)[O-] |
| InChIKey | XLYPHUGUKGMURE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-羟基-2-硝基苯甲醛 (CAS 42454-06-8), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: 5-hydroxy-2-nitrobenzaldehyde.
Chemical Property Profile of 5-羟基-2-硝基苯甲醛
Property Insights of 5-羟基-2-硝基苯甲醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-羟基-2-硝基苯甲醛. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-羟基-2-硝基苯甲醛. Following Lipinski's Rule of Five, 5-羟基-2-硝基苯甲醛 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 5-羟基-2-硝基苯甲醛?
The CAS number of 5-羟基-2-硝基苯甲醛 is 42454-06-8.
What is the molecular formula of 5-羟基-2-硝基苯甲醛?
The molecular formula of 5-羟基-2-硝基苯甲醛 is C7H5NO4.
What is the molecular weight of 5-羟基-2-硝基苯甲醛?
The molecular weight of 5-羟基-2-硝基苯甲醛 is 167.02 g/mol.
Where can I buy 5-羟基-2-硝基苯甲醛?
You can request a quote for 5-羟基-2-硝基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-2-硝基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-2-硝基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.