2-Methyl-3-nitrobenzaldehyde
TL;DR: 2-Methyl-3-nitrobenzaldehyde (CAS 23876-12-2) 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.
2-methyl-3-nitrobenzaldehyde
Also Known As: 2-methyl-3-nitrobenzaldehyde, Benzaldehyde,2-methyl-3-nitro-, 2-methyl-3-nitro-benzaldehyde, NCIOpen2_001859, Benzaldehyde, 2-methyl-3-nitro-
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.9 |
| 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 | 23876-12-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C=O |
| InChIKey | ATLCWADLCUCTLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-nitrobenzaldehyde (CAS 23876-12-2), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 2-methyl-3-nitrobenzaldehyde.
Chemical Property Profile of 2-Methyl-3-nitrobenzaldehyde
Property Insights of 2-Methyl-3-nitrobenzaldehyde
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-nitrobenzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-Methyl-3-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 2-Methyl-3-nitrobenzaldehyde?
The CAS number of 2-Methyl-3-nitrobenzaldehyde is 23876-12-2.
What is the molecular formula of 2-Methyl-3-nitrobenzaldehyde?
The molecular formula of 2-Methyl-3-nitrobenzaldehyde is C8H7NO3.
What is the molecular weight of 2-Methyl-3-nitrobenzaldehyde?
The molecular weight of 2-Methyl-3-nitrobenzaldehyde is 165.04 g/mol.
Where can I buy 2-Methyl-3-nitrobenzaldehyde?
You can request a quote for 2-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-Methyl-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.