1,3-Dimethoxy-2-nitrobenzene
TL;DR: 1,3-Dimethoxy-2-nitrobenzene (CAS 6665-97-0) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethoxy-2-nitrobenzene
Also Known As: 1,3-Dimethoxy-2-nitrobenzene, 2,6-Dimethoxynitrobenzene, 2,6-Dimethoxy nitrobenzene, 2-Nitroresorcindimethylaether, 1,3-Dimethoxy-2-nitro-benzene
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 6665-97-0 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)[N+](=O)[O-] |
| InChIKey | MVBXGGHFJZBKFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethoxy-2-nitrobenzene (CAS 6665-97-0), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: 1,3-dimethoxy-2-nitrobenzene.
Chemical Property Profile of 1,3-Dimethoxy-2-nitrobenzene
Property Insights of 1,3-Dimethoxy-2-nitrobenzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethoxy-2-nitrobenzene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethoxy-2-nitrobenzene. Following Lipinski's Rule of Five, 1,3-Dimethoxy-2-nitrobenzene has 0 hydrogen bond donor(s) and 4 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 1,3-Dimethoxy-2-nitrobenzene?
The CAS number of 1,3-Dimethoxy-2-nitrobenzene is 6665-97-0.
What is the molecular formula of 1,3-Dimethoxy-2-nitrobenzene?
The molecular formula of 1,3-Dimethoxy-2-nitrobenzene is C8H9NO4.
What is the molecular weight of 1,3-Dimethoxy-2-nitrobenzene?
The molecular weight of 1,3-Dimethoxy-2-nitrobenzene is 183.05 g/mol.
Where can I buy 1,3-Dimethoxy-2-nitrobenzene?
You can request a quote for 1,3-Dimethoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.