1-(Hexadecylsulfonyl)-4-nitrobenzene
TL;DR: 1-(Hexadecylsulfonyl)-4-nitrobenzene (CAS 15863-55-5) is a chemical compound with molecular formula C22H37NO4S and molecular weight 411.24432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hexadecylsulfonyl-4-nitrobenzene
Also Known As: hexadecyl 4-nitrophenyl sulfone, 1-(Hexadecylsulfonyl)-4-nitrobenzene, 1-hexadecylsulfonyl-4-nitrobenzene, 1-(4-nitrophenyl)sulfonylhexadecane
Technical Specifications
| Molecular Formula | C22H37NO4S |
| Molecular Weight | 411.24432 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 411.24432 Da |
| Heavy Atoms | 28 |
| Complexity | 488.0 |
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | VZXVGMJSTIUCQS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Hexadecylsulfonyl)-4-nitrobenzene
Property Insights of 1-(Hexadecylsulfonyl)-4-nitrobenzene
The XLogP value of 8.7 indicates that 1-(Hexadecylsulfonyl)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Hexadecylsulfonyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Hexadecylsulfonyl)-4-nitrobenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(Hexadecylsulfonyl)-4-nitrobenzene?
The CAS number of 1-(Hexadecylsulfonyl)-4-nitrobenzene is 15863-55-5.
What is the molecular formula of 1-(Hexadecylsulfonyl)-4-nitrobenzene?
The molecular formula of 1-(Hexadecylsulfonyl)-4-nitrobenzene is C22H37NO4S.
What is the molecular weight of 1-(Hexadecylsulfonyl)-4-nitrobenzene?
The molecular weight of 1-(Hexadecylsulfonyl)-4-nitrobenzene is 411.24432 g/mol.
Where can I buy 1-(Hexadecylsulfonyl)-4-nitrobenzene?
You can request a quote for 1-(Hexadecylsulfonyl)-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Hexadecylsulfonyl)-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(Hexadecylsulfonyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.