5-Bromo-3-nitrosalicylaldehyde
TL;DR: 5-Bromo-3-nitrosalicylaldehyde (CAS 20044-86-4) is a chemical compound with molecular formula C7H4BrNO4 and molecular weight 244.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-hydroxy-3-nitrobenzaldehyde
Also Known As: 5-Bromo-2-hydroxy-3-nitrobenzaldehyde, 5-Bromo-3-nitrosalicylaldehyde, Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-, 5-Bromo-3-nitrosalicyladehyde, 3-Nitro-5-bromosalicylaldehyde
| Molecular Formula | C7H4BrNO4 |
|---|---|
| Molecular Weight | 244.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.93237 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 20044-86-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C=O)O)[N+](=O)[O-])Br |
| InChIKey | YEYPSUQQZNDKDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-3-nitrosalicylaldehyde (CAS 20044-86-4), with molecular formula C7H4BrNO4 and molecular weight 244.93 g/mol. IUPAC: 5-bromo-2-hydroxy-3-nitrobenzaldehyde.
Chemical Property Profile of 5-Bromo-3-nitrosalicylaldehyde
Property Insights of 5-Bromo-3-nitrosalicylaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-nitrosalicylaldehyde. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-3-nitrosalicylaldehyde. Following Lipinski's Rule of Five, 5-Bromo-3-nitrosalicylaldehyde 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-Bromo-3-nitrosalicylaldehyde?
The CAS number of 5-Bromo-3-nitrosalicylaldehyde is 20044-86-4.
What is the molecular formula of 5-Bromo-3-nitrosalicylaldehyde?
The molecular formula of 5-Bromo-3-nitrosalicylaldehyde is C7H4BrNO4.
What is the molecular weight of 5-Bromo-3-nitrosalicylaldehyde?
The molecular weight of 5-Bromo-3-nitrosalicylaldehyde is 244.93 g/mol.
Where can I buy 5-Bromo-3-nitrosalicylaldehyde?
You can request a quote for 5-Bromo-3-nitrosalicylaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-nitrosalicylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-nitrosalicylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.