Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-
TL;DR: Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- (CAS 51779-34-1) is a chemical compound with molecular formula C12H4N2O3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxospiro[indene-2,3'-oxirane]-2',2'-dicarbonitrile
Also Known As: 2-dicyanomethylene-1,3-indandione oxide, Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-, 1,3-dioxospiro[indene-2,3'-oxirane]-2',2'-dicarbonitrile, 1,3-dioxo-1,3-dihydrospiro[indene-2,2'-oxirane]-3',3'-dicarbonitrile
| Molecular Formula | C12H4N2O3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.02219 |
| Heavy Atoms | 17 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 51779-34-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3(C2=O)C(O3)(C#N)C#N |
| InChIKey | DTFTUVGPLIPSDB-UHFFFAOYSA-N |
Product Overview
Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- (CAS 51779-34-1), with molecular formula C12H4N2O3 and molecular weight 224.02 g/mol. IUPAC: 1,3-dioxospiro[indene-2,3'-oxirane]-2',2'-dicarbonitrile.
Chemical Property Profile of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-
Property Insights of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-. Following Lipinski's Rule of Five, Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- 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 Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-?
The CAS number of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- is 51779-34-1.
What is the molecular formula of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-?
The molecular formula of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- is C12H4N2O3.
What is the molecular weight of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-?
The molecular weight of Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- is 224.02 g/mol.
Where can I buy Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-?
You can request a quote for Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for Oxirane-2,2'-spiroindane-1,1-dicarbonitrile, 1'3'-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.