2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile
TL;DR: 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile (CAS 91599-66-5) is a chemical compound with molecular formula C14H5N3O5 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dinitro-9-oxofluorene-4-carbonitrile
Also Known As: 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile, 2,7-dinitro-9-oxofluorene-4-carbonitrile, 9H-Fluorene-4-carbonitrile, 2,7-dinitro-9-oxo-, BAS 00439325, benzyl-methoxycarbonyl-dimethylazanium,chloride
| Molecular Formula | C14H5N3O5 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.58608 |
| Topological Polar Surface Area | 127.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.02292 |
| Heavy Atoms | 22 |
| Complexity | 926.806 |
Chemical Identifiers
| CAS Number | 91599-66-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)C#N)[N+](=O)[O-] |
Product Overview
2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile (CAS 91599-66-5), with molecular formula C14H5N3O5 and molecular weight 295.02 g/mol. IUPAC: 2,7-dinitro-9-oxofluorene-4-carbonitrile.
Chemical Property Profile of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile
Property Insights of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile
The XLogP value of 2.58608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile. The TPSA of 127.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile. Following Lipinski's Rule of Five, 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile 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-9-oxo-9H-fluorene-4-carbonitrile?
The CAS number of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile is 91599-66-5.
What is the molecular formula of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile?
The molecular formula of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile is C14H5N3O5.
What is the molecular weight of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile?
The molecular weight of 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile is 295.02 g/mol.
Where can I buy 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile?
You can request a quote for 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile 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-9-oxo-9H-fluorene-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.