4-Bromo-2,5,7-trinitro-9h-fluoren-9-one
TL;DR: 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one (CAS 91270-31-4) is a chemical compound with molecular formula C13H4BrN3O7 and molecular weight 392.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,5,7-trinitrofluoren-9-one
Also Known As: 4-bromo-2,5,7-trinitro-9h-fluoren-9-one, 4-bromo-2,5,7-trinitrofluoren-9-one, 5-bromo-2,4,7-trinitrofluorenone, 4-bromo-2,5,7-trisnitro-9H-fluoren-9-one
| Molecular Formula | C13H4BrN3O7 |
|---|---|
| Molecular Weight | 392.92 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 392.92325 |
| Heavy Atoms | 24 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 91270-31-4 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DUPKPRYUZWXQTM-UHFFFAOYSA-N |
Product Overview
4-Bromo-2,5,7-trinitro-9h-fluoren-9-one (CAS 91270-31-4), with molecular formula C13H4BrN3O7 and molecular weight 392.92 g/mol. IUPAC: 4-bromo-2,5,7-trinitrofluoren-9-one.
Chemical Property Profile of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one
Property Insights of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one
The XLogP value of 3.3 indicates that 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Bromo-2,5,7-trinitro-9h-fluoren-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 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one?
The CAS number of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one is 91270-31-4.
What is the molecular formula of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one?
The molecular formula of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one is C13H4BrN3O7.
What is the molecular weight of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one?
The molecular weight of 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one is 392.92 g/mol.
Where can I buy 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one?
You can request a quote for 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,5,7-trinitro-9h-fluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.