Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-
TL;DR: Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- (CAS 2450-26-2) 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-2-nitrobenzaldehyde
Also Known As: 4-hydroxy-3-methoxy-2-nitrobenzaldehyde, 2-Nitrovanillin, Propargylamine, Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-, Entacapone Impurity 28
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.8 |
| 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 | 2450-26-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1[N+](=O)[O-])C=O)O |
| InChIKey | PHCNQUJHXJQLQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- (CAS 2450-26-2), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 4-hydroxy-3-methoxy-2-nitrobenzaldehyde.
Chemical Property Profile of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-
Property Insights of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-. Following Lipinski's Rule of Five, Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- 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 Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-?
The CAS number of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- is 2450-26-2.
What is the molecular formula of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-?
The molecular formula of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- is C8H7NO5.
What is the molecular weight of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-?
The molecular weight of Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- is 197.03 g/mol.
Where can I buy Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-?
You can request a quote for Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.