1-Methoxy-2,5-dimethyl-4-nitrobenzene
TL;DR: 1-Methoxy-2,5-dimethyl-4-nitrobenzene (CAS 3139-06-8) 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.
1-methoxy-2,5-dimethyl-4-nitrobenzene
Also Known As: 1-methoxy-2,5-dimethyl-4-nitrobenzene, 2,5-dimethyl-4-nitroanisole, 2-methoxy-5-nitro-1,4-dimethylbenzene, 4-Methoxy-2,5-dimethyl-1-nitrobenzene, 1-methoxy-2,5-dimethyl-4-nitro-benzene
| 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 | 190.0 |
Chemical Identifiers
| CAS Number | 3139-06-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C)[N+](=O)[O-] |
| InChIKey | KCPIVGRYBOMWHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxy-2,5-dimethyl-4-nitrobenzene (CAS 3139-06-8), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 1-methoxy-2,5-dimethyl-4-nitrobenzene.
Chemical Property Profile of 1-Methoxy-2,5-dimethyl-4-nitrobenzene
Property Insights of 1-Methoxy-2,5-dimethyl-4-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-2,5-dimethyl-4-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Methoxy-2,5-dimethyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-2,5-dimethyl-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-2,5-dimethyl-4-nitrobenzene?
The CAS number of 1-Methoxy-2,5-dimethyl-4-nitrobenzene is 3139-06-8.
What is the molecular formula of 1-Methoxy-2,5-dimethyl-4-nitrobenzene?
The molecular formula of 1-Methoxy-2,5-dimethyl-4-nitrobenzene is C9H11NO3.
What is the molecular weight of 1-Methoxy-2,5-dimethyl-4-nitrobenzene?
The molecular weight of 1-Methoxy-2,5-dimethyl-4-nitrobenzene is 181.07 g/mol.
Where can I buy 1-Methoxy-2,5-dimethyl-4-nitrobenzene?
You can request a quote for 1-Methoxy-2,5-dimethyl-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-2,5-dimethyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-2,5-dimethyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.