((4-Ethoxy-2-nitrophenyl)azo)malononitrile
TL;DR: ((4-Ethoxy-2-nitrophenyl)azo)malononitrile (CAS 6017-49-8) is a chemical compound with molecular formula C11H9N5O3 and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxy-2-nitrophenyl)diazenyl]propanedinitrile
Also Known As: ((4-Ethoxy-2-nitrophenyl)azo)malononitrile, 2-Nitro-4-aethoxy-phenyl-azo-malonitril, F 2231, 2-Nitro-4-aethoxy-phenyl-azo-malonitril [German], MALONONITRILE, ((4-ETHOXY-2-NITROPHENYL)AZO)-
| Molecular Formula | C11H9N5O3 |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.07053 |
| Heavy Atoms | 19 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 6017-49-8 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)N=NC(C#N)C#N)[N+](=O)[O-] |
| InChIKey | GBPMEZTYYDRQQE-UHFFFAOYSA-N |
Product Overview
((4-Ethoxy-2-nitrophenyl)azo)malononitrile (CAS 6017-49-8), with molecular formula C11H9N5O3 and molecular weight 259.07 g/mol. IUPAC: 2-[(4-ethoxy-2-nitrophenyl)diazenyl]propanedinitrile.
Chemical Property Profile of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile
Property Insights of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Ethoxy-2-nitrophenyl)azo)malononitrile. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Ethoxy-2-nitrophenyl)azo)malononitrile. Following Lipinski's Rule of Five, ((4-Ethoxy-2-nitrophenyl)azo)malononitrile has 0 hydrogen bond donor(s) and 7 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-Ethoxy-2-nitrophenyl)azo)malononitrile?
The CAS number of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile is 6017-49-8.
What is the molecular formula of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile?
The molecular formula of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile is C11H9N5O3.
What is the molecular weight of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile?
The molecular weight of ((4-Ethoxy-2-nitrophenyl)azo)malononitrile is 259.07 g/mol.
Where can I buy ((4-Ethoxy-2-nitrophenyl)azo)malononitrile?
You can request a quote for ((4-Ethoxy-2-nitrophenyl)azo)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Ethoxy-2-nitrophenyl)azo)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for ((4-Ethoxy-2-nitrophenyl)azo)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.