5-Bromo-2-nitrovanillin
TL;DR: 5-Bromo-2-nitrovanillin (CAS 98434-34-5) is a chemical compound with molecular formula C8H6BrNO5 and molecular weight 274.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde
Also Known As: 5-bromo-2-nitrovanillin, 5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde, 3-METHOXY-2-NITRO-4-HYDROXY-5-BROMO-BENZALDEHYDE, 5-bromo-4-hydroxy-3-(methyloxy)-2-nitrobenzaldehyde, 5-bromo-4-hydroxy-3-methoxy-2-nitro benzaldehyde
| Molecular Formula | C8H6BrNO5 |
|---|---|
| Molecular Weight | 274.94 g/mol |
| LogP | 1.884 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.94293 |
| Heavy Atoms | 15 |
| Complexity | 431.5305 |
Chemical Identifiers
| CAS Number | 98434-34-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1O)Br)C=O)[N+](=O)[O-] |
Product Overview
5-Bromo-2-nitrovanillin (CAS 98434-34-5), with molecular formula C8H6BrNO5 and molecular weight 274.94 g/mol. IUPAC: 5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde.
Chemical Property Profile of 5-Bromo-2-nitrovanillin
Property Insights of 5-Bromo-2-nitrovanillin
The XLogP value of 1.884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-nitrovanillin. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-nitrovanillin. Following Lipinski's Rule of Five, 5-Bromo-2-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-Bromo-2-nitrovanillin?
The CAS number of 5-Bromo-2-nitrovanillin is 98434-34-5.
What is the molecular formula of 5-Bromo-2-nitrovanillin?
The molecular formula of 5-Bromo-2-nitrovanillin is C8H6BrNO5.
What is the molecular weight of 5-Bromo-2-nitrovanillin?
The molecular weight of 5-Bromo-2-nitrovanillin is 274.94 g/mol.
Where can I buy 5-Bromo-2-nitrovanillin?
You can request a quote for 5-Bromo-2-nitrovanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-nitrovanillin?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-nitrovanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.