1-Methoxy-2-methyl-4-nitrobenzene
TL;DR: 1-Methoxy-2-methyl-4-nitrobenzene (CAS 86771-76-8) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2-methyl-4-nitrobenzene
Also Known As: 2-Methyl-4-nitroanisole, 1-methoxy-2-methyl-4-nitrobenzene, null, 3-Methyl-4-methoxynitrobenzene, 2-Methoxy-5-nitrotoluene
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 86771-76-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])OC |
| InChIKey | QOZMIJZYJZQOBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxy-2-methyl-4-nitrobenzene (CAS 86771-76-8), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 1-methoxy-2-methyl-4-nitrobenzene.
Chemical Property Profile of 1-Methoxy-2-methyl-4-nitrobenzene
Property Insights of 1-Methoxy-2-methyl-4-nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-2-methyl-4-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Methoxy-2-methyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-2-methyl-4-nitrobenzene 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 1-Methoxy-2-methyl-4-nitrobenzene?
The CAS number of 1-Methoxy-2-methyl-4-nitrobenzene is 86771-76-8.
What is the molecular formula of 1-Methoxy-2-methyl-4-nitrobenzene?
The molecular formula of 1-Methoxy-2-methyl-4-nitrobenzene is C8H9NO3.
What is the molecular weight of 1-Methoxy-2-methyl-4-nitrobenzene?
The molecular weight of 1-Methoxy-2-methyl-4-nitrobenzene is 167.06 g/mol.
Where can I buy 1-Methoxy-2-methyl-4-nitrobenzene?
You can request a quote for 1-Methoxy-2-methyl-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-2-methyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-2-methyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.