1,2-Ditosylamino-4-fluoro-5-nitrobenzene
TL;DR: 1,2-Ditosylamino-4-fluoro-5-nitrobenzene (CAS 113269-03-7) is a chemical compound with molecular formula C20H18FN3O6S2 and molecular weight 479.0621 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-fluoro-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide
Also Known As: 1,2-Ditosylamino-4-fluoro-5-nitrobenzene, N-[4-fluoro-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide, 1,2-Ditosylamino-4-fluoro-5-nitrobenzene, Tech, Benzenesulfonamide,N,N'-(4-fluoro-5-nitro-1,2-phenylene)bis[4-methyl- (9CI), N,N'-(4-Fluoro-5-nitro-1,2-phenylene)bis(4-methylbenzenesulfonamide)
Technical Specifications
| Molecular Formula | C20H18FN3O6S2 |
| Molecular Weight | 479.0621 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.0621 Da |
| Heavy Atoms | 32 |
| Complexity | 851.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)F)[N+](=O)[O-] |
| InChIKey | BCMRZDOSXXSLEV-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene
Property Insights of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene
The XLogP value of 3.6 indicates that 1,2-Ditosylamino-4-fluoro-5-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 1,2-Ditosylamino-4-fluoro-5-nitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Ditosylamino-4-fluoro-5-nitrobenzene has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene?
The CAS number of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene is 113269-03-7.
What is the molecular formula of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene?
The molecular formula of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene is C20H18FN3O6S2.
What is the molecular weight of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene?
The molecular weight of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene is 479.0621 g/mol.
Where can I buy 1,2-Ditosylamino-4-fluoro-5-nitrobenzene?
You can request a quote for 1,2-Ditosylamino-4-fluoro-5-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Ditosylamino-4-fluoro-5-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2-Ditosylamino-4-fluoro-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.