4,5-Diethoxy-2-nitrobenzonitrile
TL;DR: 4,5-Diethoxy-2-nitrobenzonitrile (CAS 236750-63-3) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diethoxy-2-nitrobenzonitrile
Also Known As: 4,5-diethoxy-2-nitrobenzonitrile, ZERO/005011, 4,5-diethoxy-2-nitro-benzonitrile, Benzonitrile,4,5-diethoxy-2-nitro-, 4,5-diethoxy-2-nitrobenzenecarbonitrile
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 2.26388 |
| Topological Polar Surface Area | 85.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 465.27463 |
Chemical Identifiers
| CAS Number | 236750-63-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OCC |
Product Overview
4,5-Diethoxy-2-nitrobenzonitrile (CAS 236750-63-3), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 4,5-diethoxy-2-nitrobenzonitrile.
Chemical Property Profile of 4,5-Diethoxy-2-nitrobenzonitrile
Property Insights of 4,5-Diethoxy-2-nitrobenzonitrile
The XLogP value of 2.26388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diethoxy-2-nitrobenzonitrile. The TPSA of 85.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diethoxy-2-nitrobenzonitrile. Following Lipinski's Rule of Five, 4,5-Diethoxy-2-nitrobenzonitrile 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 4,5-Diethoxy-2-nitrobenzonitrile?
The CAS number of 4,5-Diethoxy-2-nitrobenzonitrile is 236750-63-3.
What is the molecular formula of 4,5-Diethoxy-2-nitrobenzonitrile?
The molecular formula of 4,5-Diethoxy-2-nitrobenzonitrile is C11H12N2O4.
What is the molecular weight of 4,5-Diethoxy-2-nitrobenzonitrile?
The molecular weight of 4,5-Diethoxy-2-nitrobenzonitrile is 236.08 g/mol.
Where can I buy 4,5-Diethoxy-2-nitrobenzonitrile?
You can request a quote for 4,5-Diethoxy-2-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Diethoxy-2-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diethoxy-2-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.