4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone
TL;DR: 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone (CAS 108726-42-7) is a chemical compound with molecular formula C24H14N8O14S and molecular weight 670.03503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trinitro-N-[4-[4-(2,4,6-trinitroanilino)phenyl]sulfonylphenyl]aniline
Also Known As: 4-(N-(2,4,6-TRINITROPHENYL)AMINO)PHENYL SULFONE, 2,4,6-trinitro-N-[4-[4-(2,4,6-trinitroanilino)phenyl]sulfonylphenyl]aniline, 2,4,6-trinitro-N-[4-[4-[(2,4,6-trinitrophenyl)amino]phenyl]sulfonylphenyl]aniline, 666-904-8
Technical Specifications
| Molecular Formula | C24H14N8O14S |
| Molecular Weight | 670.03503 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 342.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 670.03503 Da |
| Heavy Atoms | 47 |
| Complexity | 1170.0 |
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UVKHBEXPZGDPBX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone
Property Insights of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone
The XLogP value of 5.9 indicates that 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 342.0 Ų indicates high polarity, suggesting 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone?
The CAS number of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone is 108726-42-7.
What is the molecular formula of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone?
The molecular formula of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone is C24H14N8O14S.
What is the molecular weight of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone?
The molecular weight of 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone is 670.03503 g/mol.
Where can I buy 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone?
You can request a quote for 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone?
Yes, CoreyChem provides custom synthesis services for 4-(N-(2,4,6-Trinitrophenyl)amino)phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.