1-(Dicyanomethylene)-3-iminoisoindoline
TL;DR: 1-(Dicyanomethylene)-3-iminoisoindoline (CAS 43002-19-3) is a chemical compound with molecular formula C11H6N4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminoisoindol-1-ylidene)propanedinitrile
Also Known As: 1-(Dicyanomethylene)-3-iminoisoindoline, 2-(3-Iminoisoindolin-1-ylidene)malononitrile, 2-(3-aminoisoindol-1-ylidene)propanedinitrile, 1- -3-IMINOISOINDOLINE, BDXWTIVCFJPDDL-UHFFFAOYSA-
| Molecular Formula | C11H6N4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.05925 |
| Heavy Atoms | 15 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 43002-19-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C#N)C#N)N=C2N |
| InChIKey | BDXWTIVCFJPDDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Dicyanomethylene)-3-iminoisoindoline (CAS 43002-19-3), with molecular formula C11H6N4 and molecular weight 194.06 g/mol. IUPAC: 2-(3-aminoisoindol-1-ylidene)propanedinitrile.
Chemical Property Profile of 1-(Dicyanomethylene)-3-iminoisoindoline
Property Insights of 1-(Dicyanomethylene)-3-iminoisoindoline
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dicyanomethylene)-3-iminoisoindoline. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Dicyanomethylene)-3-iminoisoindoline. Following Lipinski's Rule of Five, 1-(Dicyanomethylene)-3-iminoisoindoline has 1 hydrogen bond donor(s) and 3 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 1-(Dicyanomethylene)-3-iminoisoindoline?
The CAS number of 1-(Dicyanomethylene)-3-iminoisoindoline is 43002-19-3.
What is the molecular formula of 1-(Dicyanomethylene)-3-iminoisoindoline?
The molecular formula of 1-(Dicyanomethylene)-3-iminoisoindoline is C11H6N4.
What is the molecular weight of 1-(Dicyanomethylene)-3-iminoisoindoline?
The molecular weight of 1-(Dicyanomethylene)-3-iminoisoindoline is 194.06 g/mol.
Where can I buy 1-(Dicyanomethylene)-3-iminoisoindoline?
You can request a quote for 1-(Dicyanomethylene)-3-iminoisoindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dicyanomethylene)-3-iminoisoindoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dicyanomethylene)-3-iminoisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.