(2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile
TL;DR: (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile (CAS 15538-90-6) is a chemical compound with molecular formula C16H6N4O4 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,7-dinitrofluoren-9-ylidene)propanedinitrile
Also Known As: (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile, KST-1A1764, 9-Dicyanmethylen-2,7-dinitro-fluoren, 9-dicyanomethylene-2,7-di-nitrofluorene, 2-(2,7-dinitrofluoren-9-ylidene)propanedinitrile
| Molecular Formula | C16H6N4O4 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.0389 |
| Heavy Atoms | 24 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 15538-90-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=C(C#N)C#N)C3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | DBOFUBZQRADHSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile (CAS 15538-90-6), with molecular formula C16H6N4O4 and molecular weight 318.04 g/mol. IUPAC: 2-(2,7-dinitrofluoren-9-ylidene)propanedinitrile.
Chemical Property Profile of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile
Property Insights of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile. Following Lipinski's Rule of Five, (2,7-Dinitro-9H-fluoren-9-ylidene)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 (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile?
The CAS number of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile is 15538-90-6.
What is the molecular formula of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile?
The molecular formula of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile is C16H6N4O4.
What is the molecular weight of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile?
The molecular weight of (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile is 318.04 g/mol.
Where can I buy (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile?
You can request a quote for (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,7-Dinitro-9H-fluoren-9-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.