2-Hydroxy-4-methyl-5-nitrobenzaldehyde
TL;DR: 2-Hydroxy-4-methyl-5-nitrobenzaldehyde (CAS 101421-77-6) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-4-methyl-5-nitrobenzaldehyde
Also Known As: 2-hydroxy-4-methyl-5-nitrobenzaldehyde, 2-hydroxy-4-methyl-5-nitro-benzaldehyde, 2-Hydroxy-4-methyl-5-nitro-benzaldehyd
Technical Specifications
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.0375 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0375 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C=O)O |
| InChIKey | NESZCRFLZYRQMS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde
Property Insights of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-methyl-5-nitrobenzaldehyde. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-methyl-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-Hydroxy-4-methyl-5-nitrobenzaldehyde has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde?
The CAS number of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde is 101421-77-6.
What is the molecular formula of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde?
The molecular formula of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde is C8H7NO4.
What is the molecular weight of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde?
The molecular weight of 2-Hydroxy-4-methyl-5-nitrobenzaldehyde is 181.0375 g/mol.
Where can I buy 2-Hydroxy-4-methyl-5-nitrobenzaldehyde?
You can request a quote for 2-Hydroxy-4-methyl-5-nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-4-methyl-5-nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-4-methyl-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.