3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde
TL;DR: 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde (CAS 178686-24-3) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-hydroxy-5-nitrobenzaldehyde
Also Known As: 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde, 5-Nitroethylvanillin, Benzaldehyde, 3-ethoxy-4-hydroxy-5-nitro-, Tetrazole-5-acetohydrazide, 2-Ethoxy-4-formyl-6-nitrophenol
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 178686-24-3 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=O |
| InChIKey | MDWLNBVKBMKTKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde (CAS 178686-24-3), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 3-ethoxy-4-hydroxy-5-nitrobenzaldehyde.
Chemical Property Profile of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde
Property Insights of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde 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 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde?
The CAS number of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde is 178686-24-3.
What is the molecular formula of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde?
The molecular formula of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde is C9H9NO5.
What is the molecular weight of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde?
The molecular weight of 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde is 211.05 g/mol.
Where can I buy 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde?
You can request a quote for 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-hydroxy-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.