2-Methoxy-1,3-dimethyl-5-nitrobenzene
TL;DR: 2-Methoxy-1,3-dimethyl-5-nitrobenzene (CAS 14804-39-8) 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.
2-methoxy-1,3-dimethyl-5-nitrobenzene
Also Known As: 2,6-Dimethyl-4-nitroanisole, 2-methoxy-1,3-dimethyl-5-nitrobenzene, m-Xylene, 2-methoxy-5-nitro-, Benzene, 2-methoxy-1,3-dimethyl-5-nitro-, m-Xylene, 2-methoxy-5-nitro-,
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.5 |
| 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 | 178.0 |
Chemical Identifiers
| CAS Number | 14804-39-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)C)[N+](=O)[O-] |
| InChIKey | HSDNHFOJTRMGER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-1,3-dimethyl-5-nitrobenzene (CAS 14804-39-8), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2-methoxy-1,3-dimethyl-5-nitrobenzene.
Chemical Property Profile of 2-Methoxy-1,3-dimethyl-5-nitrobenzene
Property Insights of 2-Methoxy-1,3-dimethyl-5-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1,3-dimethyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Methoxy-1,3-dimethyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-1,3-dimethyl-5-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 2-Methoxy-1,3-dimethyl-5-nitrobenzene?
The CAS number of 2-Methoxy-1,3-dimethyl-5-nitrobenzene is 14804-39-8.
What is the molecular formula of 2-Methoxy-1,3-dimethyl-5-nitrobenzene?
The molecular formula of 2-Methoxy-1,3-dimethyl-5-nitrobenzene is C9H11NO3.
What is the molecular weight of 2-Methoxy-1,3-dimethyl-5-nitrobenzene?
The molecular weight of 2-Methoxy-1,3-dimethyl-5-nitrobenzene is 181.07 g/mol.
Where can I buy 2-Methoxy-1,3-dimethyl-5-nitrobenzene?
You can request a quote for 2-Methoxy-1,3-dimethyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-1,3-dimethyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1,3-dimethyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.