![6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile structure](/static/products/956/956613-53-9.png)
6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
TL;DR: 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile (CAS 956613-53-9) is a chemical compound with molecular formula C13H6FN3O2 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Also Known As: 6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, A4043/0172406, 3-Azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, 6-(4-fluorophenyl)-2,4-dioxo-, 5-CYANO-6-(4-FLUOROPHENYL)-2,4-DIOXO-3-AZABICYCLO[3.1.0]HEX-1-YL CYANIDE
| Molecular Formula | C13H6FN3O2 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 0.59926 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.0444 |
| Heavy Atoms | 19 |
| Complexity | 662.0839 |
Chemical Identifiers
| CAS Number | 956613-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3(C2(C(=O)NC3=O)C#N)C#N)F |
Product Overview
6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile (CAS 956613-53-9), with molecular formula C13H6FN3O2 and molecular weight 255.04 g/mol. IUPAC: 6-(4-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile.
Chemical Property Profile of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Property Insights of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
The XLogP value of 0.59926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile has 1 hydrogen bond donor(s) and 4 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 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
The CAS number of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile is 956613-53-9.
What is the molecular formula of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
The molecular formula of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile is C13H6FN3O2.
What is the molecular weight of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
The molecular weight of 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile is 255.04 g/mol.
Where can I buy 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
You can request a quote for 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.