(2,4,7-Trinitrofluoren-9-ylidene)malonitrile
TL;DR: (2,4,7-Trinitrofluoren-9-ylidene)malonitrile (CAS 1172-02-7) is a chemical compound with molecular formula C16H5N5O6 and molecular weight 363.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile
Also Known As: 9-Dicyanomethylene-2,4,7-trinitrofluorene, CNTNF, DTNF, 2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile, (2,4,7-Trinitrofluoren-9-ylidene)malonitrile
| Molecular Formula | C16H5N5O6 |
|---|---|
| Molecular Weight | 363.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.024 |
| Heavy Atoms | 27 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 1172-02-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=C(C#N)C#N)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | POJAQDYLPYBBPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4,7-Trinitrofluoren-9-ylidene)malonitrile (CAS 1172-02-7), with molecular formula C16H5N5O6 and molecular weight 363.02 g/mol. IUPAC: 2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile.
Chemical Property Profile of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile
Property Insights of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4,7-Trinitrofluoren-9-ylidene)malonitrile. The TPSA of 185.0 Ų indicates high polarity, suggesting (2,4,7-Trinitrofluoren-9-ylidene)malonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4,7-Trinitrofluoren-9-ylidene)malonitrile has 0 hydrogen bond donor(s) and 8 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 (2,4,7-Trinitrofluoren-9-ylidene)malonitrile?
The CAS number of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile is 1172-02-7.
What is the molecular formula of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile?
The molecular formula of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile is C16H5N5O6.
What is the molecular weight of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile?
The molecular weight of (2,4,7-Trinitrofluoren-9-ylidene)malonitrile is 363.02 g/mol.
Where can I buy (2,4,7-Trinitrofluoren-9-ylidene)malonitrile?
You can request a quote for (2,4,7-Trinitrofluoren-9-ylidene)malonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,7-Trinitrofluoren-9-ylidene)malonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,4,7-Trinitrofluoren-9-ylidene)malonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.