(E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate
TL;DR: (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate (CAS 3490-50-4) is a chemical compound with molecular formula C9H5N3O and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-diazoacetyl)benzonitrile
Also Known As: 4-(2-Diazo-acetyl)-benzonitrile, Benzonitrile, 4-(2-diazoacetyl)-, 4 -Cyano-alpha-diazoacetophenone, 4-(2-DIAZOACETYL)BENZONITRILE, 1-(4-cyanophenyl)-2-diazonioethenolate
| Molecular Formula | C9H5N3O |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 1.04158 |
| Topological Polar Surface Area | 77.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.04326 |
| Heavy Atoms | 13 |
| Complexity | 407.4811 |
Chemical Identifiers
| CAS Number | 3490-50-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)C=[N+]=[N-] |
Product Overview
(E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate (CAS 3490-50-4), with molecular formula C9H5N3O and molecular weight 171.04 g/mol. IUPAC: 4-(2-diazoacetyl)benzonitrile.
Chemical Property Profile of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate
Property Insights of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate
The XLogP value of 1.04158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate. The TPSA of 77.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate. Following Lipinski's Rule of Five, (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate has 0 hydrogen bond donor(s) and 2 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 (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate?
The CAS number of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate is 3490-50-4.
What is the molecular formula of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate?
The molecular formula of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate is C9H5N3O.
What is the molecular weight of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate?
The molecular weight of (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate is 171.04 g/mol.
Where can I buy (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate?
You can request a quote for (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-Cyanophenyl)-2-diazonioethen-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.