2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile
TL;DR: 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile (CAS 15517-55-2) is a chemical compound with molecular formula C16H4N6O8 and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile
Also Known As: 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile, 9-(Dicyanomethylene)-2,4,5,7-tetranitrofluorene, 2,4,5,7-Tetranitro-9H-fluorene-9-ylidenemalononitrile, 9-dicyanomethylene-2,4,5,7-tetranitrofluorene, Fluorene-.delta.9,.alpha.-malononitrile, 2,4,5,7-tetranitro-
| Molecular Formula | C16H4N6O8 |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 408.00906 |
| Heavy Atoms | 30 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 15517-55-2 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=C(C#N)C#N)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QLTDNDIVGHGWIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile (CAS 15517-55-2), with molecular formula C16H4N6O8 and molecular weight 408.01 g/mol. IUPAC: 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile.
Chemical Property Profile of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile
Property Insights of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile. The TPSA of 231.0 Ų indicates high polarity, suggesting 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile has 0 hydrogen bond donor(s) and 10 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-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile?
The CAS number of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile is 15517-55-2.
What is the molecular formula of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile?
The molecular formula of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile is C16H4N6O8.
What is the molecular weight of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile?
The molecular weight of 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile is 408.01 g/mol.
Where can I buy 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile?
You can request a quote for 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,5,7-Tetranitrofluoren-9-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.