2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one
TL;DR: 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one (CAS 279216-45-4) is a chemical compound with molecular formula C17H13N3O8S and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfinyl-4,5,7-trinitrofluoren-9-one
Also Known As: 2-butylsulfinyl-4,5,7-trinitrofluoren-9-one, 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one, J1.349.077E, 2-(Butylsulfinyl)-4,5,7-trinitro-9H-fluorene-9-one, 2-(butane-1-sulfinyl)-4,5,7-trinitro-9H-fluoren-9-one
| Molecular Formula | C17H13N3O8S |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 3.5303 |
| Topological Polar Surface Area | 163.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.04233 |
| Heavy Atoms | 29 |
| Complexity | 1128.1465 |
Chemical Identifiers
| CAS Number | 279216-45-4 |
|---|---|
| SMILES | CCCCS(=O)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-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one (CAS 279216-45-4), with molecular formula C17H13N3O8S and molecular weight 419.04 g/mol. IUPAC: 2-butylsulfinyl-4,5,7-trinitrofluoren-9-one.
Chemical Property Profile of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one
Property Insights of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one
The XLogP value of 3.5303 indicates that 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.56 Ų indicates high polarity, suggesting 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one 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 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one?
The CAS number of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one is 279216-45-4.
What is the molecular formula of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one?
The molecular formula of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one is C17H13N3O8S.
What is the molecular weight of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one?
The molecular weight of 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one is 419.04 g/mol.
Where can I buy 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one?
You can request a quote for 2-(butylsulfinyl)-4,5,7-trisnitro-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 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylsulfinyl)-4,5,7-trisnitro-9H-fluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.