5-Nitrovanillin
TL;DR: 5-Nitrovanillin (CAS 6635-20-7) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methoxy-5-nitrobenzaldehyde
Also Known As: 5-Nitrovanillin, 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde, Vanillin, 5-nitro-, 5-nitrovanilline, 5-nitro vanillin
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 6635-20-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O |
| InChIKey | ZEHYRTJBFMZHCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrovanillin (CAS 6635-20-7), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 4-hydroxy-3-methoxy-5-nitrobenzaldehyde.
Chemical Property Profile of 5-Nitrovanillin
Property Insights of 5-Nitrovanillin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrovanillin. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrovanillin. Following Lipinski's Rule of Five, 5-Nitrovanillin 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 5-Nitrovanillin?
The CAS number of 5-Nitrovanillin is 6635-20-7.
What is the molecular formula of 5-Nitrovanillin?
The molecular formula of 5-Nitrovanillin is C8H7NO5.
What is the molecular weight of 5-Nitrovanillin?
The molecular weight of 5-Nitrovanillin is 197.03 g/mol.
Where can I buy 5-Nitrovanillin?
You can request a quote for 5-Nitrovanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrovanillin?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrovanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.