2-Methyl-6-nitroanisole
TL;DR: 2-Methyl-6-nitroanisole (CAS 18102-29-9) 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.
2-methoxy-1-methyl-3-nitrobenzene
Also Known As: 2-METHYL-6-NITROANISOLE, 2-methoxy-1-methyl-3-nitrobenzene, Silafluofen, 2-Methoxy-3-nitrotoluene, Benzene, 2-methoxy-1-methyl-3-nitro-
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 2.1 |
| 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 | 18102-29-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])OC |
| InChIKey | OCSBJPCSPDPAQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-6-nitroanisole (CAS 18102-29-9), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 2-methoxy-1-methyl-3-nitrobenzene.
Chemical Property Profile of 2-Methyl-6-nitroanisole
Property Insights of 2-Methyl-6-nitroanisole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Methyl-6-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-nitroanisole 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-6-nitroanisole?
The CAS number of 2-Methyl-6-nitroanisole is 18102-29-9.
What is the molecular formula of 2-Methyl-6-nitroanisole?
The molecular formula of 2-Methyl-6-nitroanisole is C8H9NO3.
What is the molecular weight of 2-Methyl-6-nitroanisole?
The molecular weight of 2-Methyl-6-nitroanisole is 167.06 g/mol.
Where can I buy 2-Methyl-6-nitroanisole?
You can request a quote for 2-Methyl-6-nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.