((m-Nitrophenyl)azo)malononitrile
TL;DR: ((m-Nitrophenyl)azo)malononitrile (CAS 6017-45-4) is a chemical compound with molecular formula C9H5N5O2 and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)diazenyl]propanedinitrile
Also Known As: ((m-Nitrophenyl)azo)malononitrile, 3-Nitro-phenyl-azo-malonitril, 3-Nitro-phenyl-azo-malonitril [German], MALONONITRILE, ((m-NITROPHENYL)AZO)-, 2-[(3-nitrophenyl)diazenyl]propanedinitrile
| Molecular Formula | C9H5N5O2 |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.04433 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 6017-45-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N=NC(C#N)C#N |
| InChIKey | YUIBFUSUSOYKEL-UHFFFAOYSA-N |
Product Overview
((m-Nitrophenyl)azo)malononitrile (CAS 6017-45-4), with molecular formula C9H5N5O2 and molecular weight 215.04 g/mol. IUPAC: 2-[(3-nitrophenyl)diazenyl]propanedinitrile.
Chemical Property Profile of ((m-Nitrophenyl)azo)malononitrile
Property Insights of ((m-Nitrophenyl)azo)malononitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((m-Nitrophenyl)azo)malononitrile. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((m-Nitrophenyl)azo)malononitrile. Following Lipinski's Rule of Five, ((m-Nitrophenyl)azo)malononitrile 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 ((m-Nitrophenyl)azo)malononitrile?
The CAS number of ((m-Nitrophenyl)azo)malononitrile is 6017-45-4.
What is the molecular formula of ((m-Nitrophenyl)azo)malononitrile?
The molecular formula of ((m-Nitrophenyl)azo)malononitrile is C9H5N5O2.
What is the molecular weight of ((m-Nitrophenyl)azo)malononitrile?
The molecular weight of ((m-Nitrophenyl)azo)malononitrile is 215.04 g/mol.
Where can I buy ((m-Nitrophenyl)azo)malononitrile?
You can request a quote for ((m-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 ((m-Nitrophenyl)azo)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for ((m-Nitrophenyl)azo)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.