9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-
TL;DR: 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- (CAS 65593-05-7) is a chemical compound with molecular formula C14H4N4O7 and molecular weight 340.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,7-trinitro-9-oxofluorene-4-carbonitrile
Also Known As: ChemDiv1_019708, 2,4,7-trinitrofluorenone-5-carbonitrile, 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-, 2,5,7-trinitro-9-oxofluorene-4-carbonitrile, 2,5,7-TRINITRO-9-OXO-9H-FLUORENE-4-CARBONITRILE
| Molecular Formula | C14H4N4O7 |
|---|---|
| Molecular Weight | 340.01 g/mol |
| LogP | 2.49428 |
| Topological Polar Surface Area | 170.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.008 |
| Heavy Atoms | 25 |
| Complexity | 1067.8256 |
Chemical Identifiers
| CAS Number | 65593-05-7 |
|---|---|
| SMILES | C1=C(C=C2C(=C1C#N)C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- (CAS 65593-05-7), with molecular formula C14H4N4O7 and molecular weight 340.01 g/mol. IUPAC: 2,5,7-trinitro-9-oxofluorene-4-carbonitrile.
Chemical Property Profile of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-
Property Insights of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-
The XLogP value of 2.49428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-. The TPSA of 170.28 Ų indicates high polarity, suggesting 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- 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 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-?
The CAS number of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- is 65593-05-7.
What is the molecular formula of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-?
The molecular formula of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- is C14H4N4O7.
What is the molecular weight of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-?
The molecular weight of 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- is 340.01 g/mol.
Where can I buy 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-?
You can request a quote for 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Fluorene-4-carbonitrile, 2,5,7-trinitro-9-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.