1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene
TL;DR: 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene (CAS 7467-96-1) is a chemical compound with molecular formula C13H19NO6 and molecular weight 285.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene
Also Known As: 1-(diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene, BENZENE,1-(DIETHOXYMETHYL)-2,3-DIMETHOXY-5-NITRO-
| Molecular Formula | C13H19NO6 |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.12125 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 7467-96-1 |
|---|---|
| SMILES | CCOC(C1=C(C(=CC(=C1)[N+](=O)[O-])OC)OC)OCC |
| InChIKey | AOJGWUROZIJFJA-UHFFFAOYSA-N |
Product Overview
1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene (CAS 7467-96-1), with molecular formula C13H19NO6 and molecular weight 285.12 g/mol. IUPAC: 1-(diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene.
Chemical Property Profile of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene
Property Insights of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene. Following Lipinski's Rule of Five, 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene has 0 hydrogen bond donor(s) and 6 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-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene?
The CAS number of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene is 7467-96-1.
What is the molecular formula of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene?
The molecular formula of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene is C13H19NO6.
What is the molecular weight of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene?
The molecular weight of 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene is 285.12 g/mol.
Where can I buy 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene?
You can request a quote for 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethoxymethyl)-2,3-dimethoxy-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.