3-Hydroxy-4-methoxy-2-nitrobenzaldehyde
TL;DR: 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde (CAS 6945-23-9) 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.
3-hydroxy-4-methoxy-2-nitrobenzaldehyde
Also Known As: 3-hydroxy-4-methoxy-2-nitrobenzaldehyde, 3-HYDROXY-4-METHOXY-2-NITRO-BENZALDEHYDE, Entacapone Impurity 87, 2-NITROISOVANILLIN, 3-Hydroxy-4-methoxy-2-nitro-benzald
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.2 |
| 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 | 6945-23-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C=O)[N+](=O)[O-])O |
| InChIKey | SJAKQVOAWQEVJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-4-methoxy-2-nitrobenzaldehyde (CAS 6945-23-9), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 3-hydroxy-4-methoxy-2-nitrobenzaldehyde.
Chemical Property Profile of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde
Property Insights of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-Hydroxy-4-methoxy-2-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-Hydroxy-4-methoxy-2-nitrobenzaldehyde?
The CAS number of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde is 6945-23-9.
What is the molecular formula of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde?
The molecular formula of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde is C8H7NO5.
What is the molecular weight of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde?
The molecular weight of 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde is 197.03 g/mol.
Where can I buy 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde?
You can request a quote for 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methoxy-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.