2,4,6-Trinitrofluoren-9-one
TL;DR: 2,4,6-Trinitrofluoren-9-one (CAS 47271-56-7) 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.
2,4,6-trinitrofluoren-9-one
Also Known As: 2,4,6-trinitrofluoren-9-one, 2,4,6-trinitro-9H-fluoren-9-one, 2,4,6-trinitro-9-fluorenone, 2,4,6-Trinitro-9H-fluorene-9-one, 9H-Fluoren-9-one, 2,4,6-trinitro-
| Molecular Formula | C13H5N3O7 |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 2.6226 |
| Topological Polar Surface Area | 146.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.01276 |
| Heavy Atoms | 23 |
| Complexity | 935.40564 |
Chemical Identifiers
| CAS Number | 47271-56-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4,6-Trinitrofluoren-9-one (CAS 47271-56-7), with molecular formula C13H5N3O7 and molecular weight 315.01 g/mol. IUPAC: 2,4,6-trinitrofluoren-9-one.
Chemical Property Profile of 2,4,6-Trinitrofluoren-9-one
Property Insights of 2,4,6-Trinitrofluoren-9-one
The XLogP value of 2.6226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrofluoren-9-one. The TPSA of 146.49 Ų indicates high polarity, suggesting 2,4,6-Trinitrofluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-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 2,4,6-Trinitrofluoren-9-one?
The CAS number of 2,4,6-Trinitrofluoren-9-one is 47271-56-7.
What is the molecular formula of 2,4,6-Trinitrofluoren-9-one?
The molecular formula of 2,4,6-Trinitrofluoren-9-one is C13H5N3O7.
What is the molecular weight of 2,4,6-Trinitrofluoren-9-one?
The molecular weight of 2,4,6-Trinitrofluoren-9-one is 315.01 g/mol.
Where can I buy 2,4,6-Trinitrofluoren-9-one?
You can request a quote for 2,4,6-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 2,4,6-Trinitrofluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.