5-Methoxy-2-nitrobenzaldehyde
TL;DR: 5-Methoxy-2-nitrobenzaldehyde (CAS 20357-24-8) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-nitrobenzaldehyde
Also Known As: 5-Methoxy-2-nitrobenzaldehyde, Benzaldehyde, 5-methoxy-2-nitro-, 5-methoxy-2-nitro-benzaldehyde, 3-Formyl-4-nitroanisole, 2-nitro-5-methoxybenzaldehyde
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 20357-24-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])C=O |
| InChIKey | BNTDDWPHSMILHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-2-nitrobenzaldehyde (CAS 20357-24-8), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 5-methoxy-2-nitrobenzaldehyde.
Chemical Property Profile of 5-Methoxy-2-nitrobenzaldehyde
Property Insights of 5-Methoxy-2-nitrobenzaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-2-nitrobenzaldehyde. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 5-Methoxy-2-nitrobenzaldehyde has 0 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-Methoxy-2-nitrobenzaldehyde?
The CAS number of 5-Methoxy-2-nitrobenzaldehyde is 20357-24-8.
What is the molecular formula of 5-Methoxy-2-nitrobenzaldehyde?
The molecular formula of 5-Methoxy-2-nitrobenzaldehyde is C8H7NO4.
What is the molecular weight of 5-Methoxy-2-nitrobenzaldehyde?
The molecular weight of 5-Methoxy-2-nitrobenzaldehyde is 181.04 g/mol.
Where can I buy 5-Methoxy-2-nitrobenzaldehyde?
You can request a quote for 5-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 5-Methoxy-2-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.