2-Hydroxy-5-methyl-3-nitrobenzaldehyde
TL;DR: 2-Hydroxy-5-methyl-3-nitrobenzaldehyde (CAS 66620-31-3) 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.
2-hydroxy-5-methyl-3-nitrobenzaldehyde
Also Known As: 2-hydroxy-5-methyl-3-nitrobenzaldehyde, 2-hydroxy-5-methyl-3-nitro-benzaldehyde, 3-nitro-5-methyl-salicylaldehyde, 2-hydroxy-3-nitro-5-methylbenzaldehyde, Benzaldehyde, 2-hydroxy-5-methyl-3-nitro-
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.42132 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 372.65192 |
Chemical Identifiers
| CAS Number | 66620-31-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O |
Product Overview
2-Hydroxy-5-methyl-3-nitrobenzaldehyde (CAS 66620-31-3), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-hydroxy-5-methyl-3-nitrobenzaldehyde.
Chemical Property Profile of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde
Property Insights of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde
The XLogP value of 1.42132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-methyl-3-nitrobenzaldehyde. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-methyl-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-Hydroxy-5-methyl-3-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
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde?
The CAS number of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde is 66620-31-3.
What is the molecular formula of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde?
The molecular formula of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde is C8H7NO4.
What is the molecular weight of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde?
The molecular weight of 2-Hydroxy-5-methyl-3-nitrobenzaldehyde is 181.04 g/mol.
Where can I buy 2-Hydroxy-5-methyl-3-nitrobenzaldehyde?
You can request a quote for 2-Hydroxy-5-methyl-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-methyl-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-methyl-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.