2,3-Dimethyl-4-nitroanisole
TL;DR: 2,3-Dimethyl-4-nitroanisole (CAS 81029-03-0) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2,3-dimethyl-4-nitrobenzene
Also Known As: 2,3-Dimethyl-4-nitroanisole, 1-Methoxy-2,3-dimethyl-4-nitrobenzene, 2,3-Dimethyl-p-nitroanisole, 3-Methoxy-6-nitro-o-xylene, 4-Methoxy-2,3-dimethylnitrobenzene
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 81029-03-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)OC)[N+](=O)[O-] |
| InChIKey | DUBFMQLUMHKYOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethyl-4-nitroanisole (CAS 81029-03-0), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 1-methoxy-2,3-dimethyl-4-nitrobenzene.
Chemical Property Profile of 2,3-Dimethyl-4-nitroanisole
Property Insights of 2,3-Dimethyl-4-nitroanisole
The XLogP value of 3.0 indicates that 2,3-Dimethyl-4-nitroanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2,3-Dimethyl-4-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-4-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 2,3-Dimethyl-4-nitroanisole?
The CAS number of 2,3-Dimethyl-4-nitroanisole is 81029-03-0.
What is the molecular formula of 2,3-Dimethyl-4-nitroanisole?
The molecular formula of 2,3-Dimethyl-4-nitroanisole is C9H11NO3.
What is the molecular weight of 2,3-Dimethyl-4-nitroanisole?
The molecular weight of 2,3-Dimethyl-4-nitroanisole is 181.07 g/mol.
Where can I buy 2,3-Dimethyl-4-nitroanisole?
You can request a quote for 2,3-Dimethyl-4-nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-4-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-4-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.