2,4,7-Trinitrofluoren-9-one
TL;DR: 2,4,7-Trinitrofluoren-9-one (CAS 129-79-3) is a chemical compound with molecular formula C13H5N3O7 and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,7-trinitrofluoren-9-one
Also Known As: 2,4,7-Trinitrofluoren-9-one, 2,4,7-Trinitrofluorenone, TNF (ketone), 2,4,7-TRINITRO-9H-FLUOREN-9-ONE, Trinitrofluorenone
| Molecular Formula | C13H5N3O7 |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.01276 |
| Heavy Atoms | 23 |
| Complexity | 563.0 |
| Melting Point | 175.6 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 1.1e-10 mmHg |
Chemical Identifiers
| CAS Number | 129-79-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VHQGURIJMFPBKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,7-Trinitrofluoren-9-one (CAS 129-79-3), with molecular formula C13H5N3O7 and molecular weight 315.01 g/mol. IUPAC: 2,4,7-trinitrofluoren-9-one.
Chemical Property Profile of 2,4,7-Trinitrofluoren-9-one
Property Insights of 2,4,7-Trinitrofluoren-9-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,7-Trinitrofluoren-9-one. The TPSA of 155.0 Ų indicates high polarity, suggesting 2,4,7-Trinitrofluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,7-Trinitrofluoren-9-one has 0 hydrogen bond donor(s) and 7 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-one?
The CAS number of 2,4,7-Trinitrofluoren-9-one is 129-79-3.
What is the molecular formula of 2,4,7-Trinitrofluoren-9-one?
The molecular formula of 2,4,7-Trinitrofluoren-9-one is C13H5N3O7.
What is the molecular weight of 2,4,7-Trinitrofluoren-9-one?
The molecular weight of 2,4,7-Trinitrofluoren-9-one is 315.01 g/mol.
Where can I buy 2,4,7-Trinitrofluoren-9-one?
You can request a quote for 2,4,7-Trinitrofluoren-9-one 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-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4,7-Trinitrofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.