2-Methoxy-1-methyl-3,5-dinitrobenzene
TL;DR: 2-Methoxy-1-methyl-3,5-dinitrobenzene (CAS 29027-13-2) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-1-methyl-3,5-dinitrobenzene
Also Known As: 2-Methoxy-1-methyl-3,5-dinitrobenzene, 2,4-dinitro-6-methylanisole, 2-METHYL-4,6-DINITROANISOLE, 4,6-dinitro-o-cresol-methylether, Benzene, 2-methoxy-1-methyl-3,5-dinitro-
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 29027-13-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XCHBHMOBNNBYAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-1-methyl-3,5-dinitrobenzene (CAS 29027-13-2), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 2-methoxy-1-methyl-3,5-dinitrobenzene.
Chemical Property Profile of 2-Methoxy-1-methyl-3,5-dinitrobenzene
Property Insights of 2-Methoxy-1-methyl-3,5-dinitrobenzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1-methyl-3,5-dinitrobenzene. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-1-methyl-3,5-dinitrobenzene. Following Lipinski's Rule of Five, 2-Methoxy-1-methyl-3,5-dinitrobenzene has 0 hydrogen bond donor(s) and 5 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-methyl-3,5-dinitrobenzene?
The CAS number of 2-Methoxy-1-methyl-3,5-dinitrobenzene is 29027-13-2.
What is the molecular formula of 2-Methoxy-1-methyl-3,5-dinitrobenzene?
The molecular formula of 2-Methoxy-1-methyl-3,5-dinitrobenzene is C8H8N2O5.
What is the molecular weight of 2-Methoxy-1-methyl-3,5-dinitrobenzene?
The molecular weight of 2-Methoxy-1-methyl-3,5-dinitrobenzene is 212.04 g/mol.
Where can I buy 2-Methoxy-1-methyl-3,5-dinitrobenzene?
You can request a quote for 2-Methoxy-1-methyl-3,5-dinitrobenzene 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-methyl-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1-methyl-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.