4-Methyl-2-nitrobenzaldehyde
TL;DR: 4-Methyl-2-nitrobenzaldehyde (CAS 20357-22-6) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-nitrobenzaldehyde
Also Known As: 4-Methyl-2-nitrobenzaldehyde, Benzaldehyde, 4-methyl-2-nitro-, p-Tolualdehyde, 2-nitro-, 2-nitro-4-methylbenzaldehyde, 4-Methyl-2-nitro-benzaldehyde
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 20357-22-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C=O)[N+](=O)[O-] |
| InChIKey | FDYADQPZUDULNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-nitrobenzaldehyde (CAS 20357-22-6), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 4-methyl-2-nitrobenzaldehyde.
Chemical Property Profile of 4-Methyl-2-nitrobenzaldehyde
Property Insights of 4-Methyl-2-nitrobenzaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-nitrobenzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-Methyl-2-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 3 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 4-Methyl-2-nitrobenzaldehyde?
The CAS number of 4-Methyl-2-nitrobenzaldehyde is 20357-22-6.
What is the molecular formula of 4-Methyl-2-nitrobenzaldehyde?
The molecular formula of 4-Methyl-2-nitrobenzaldehyde is C8H7NO3.
What is the molecular weight of 4-Methyl-2-nitrobenzaldehyde?
The molecular weight of 4-Methyl-2-nitrobenzaldehyde is 165.04 g/mol.
Where can I buy 4-Methyl-2-nitrobenzaldehyde?
You can request a quote for 4-Methyl-2-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.