N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide
TL;DR: N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide (CAS 254980-53-5) is a chemical compound with molecular formula C27H20N4O9S2 and molecular weight 608.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,7-N-dibenzyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide
Also Known As: BAS 00461478, N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide, 4,5-Dinitro-9-oxo-9H-fluorene-2,7-disulfonic acid bis-benzylamide, 2-N,7-N-dibenzyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide
| Molecular Formula | C27H20N4O9S2 |
|---|---|
| Molecular Weight | 608.07 g/mol |
| LogP | 3.6714 |
| Topological Polar Surface Area | 195.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.0672 |
| Heavy Atoms | 42 |
| Complexity | 1838.2502 |
Chemical Identifiers
| CAS Number | 254980-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C(=C2)[N+](=O)[O-])C4=C(C3=O)C=C(C=C4[N+](=O)[O-])S(=O)(=O)NCC5=CC=CC=C5 |
Product Overview
N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide (CAS 254980-53-5), with molecular formula C27H20N4O9S2 and molecular weight 608.07 g/mol. IUPAC: 2-N,7-N-dibenzyl-4,5-dinitro-9-oxofluorene-2,7-disulfonamide.
Chemical Property Profile of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide
Property Insights of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide
The XLogP value of 3.6714 indicates that N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.69 Ų indicates high polarity, suggesting N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide?
The CAS number of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide is 254980-53-5.
What is the molecular formula of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide?
The molecular formula of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide is C27H20N4O9S2.
What is the molecular weight of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide?
The molecular weight of N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide is 608.07 g/mol.
Where can I buy N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide?
You can request a quote for N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N~2~,N~7~-dibenzyl-4,5-bisnitro-9-oxo-9H-fluorene-2,7-disulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.