4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride
TL;DR: 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride (CAS 108045-30-3) is a chemical compound with molecular formula C10H12FNO4S and molecular weight 261.04712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-3-nitrobenzenesulfonyl fluoride
Also Known As: 4-tert-butyl-3-nitrobenzene-1-sulfonyl fluoride, 4-(t-butyl)-3-nitrobenzenesulfonyl fluoride, 4-tert-butyl-3-nitrobenzenesulfonyl fluoride, 3-nitro-4-tert-butyl-benzenesulfonyl Fluoride, 4-(TERT-BUTYL)-3-NITROBENZENESULFONYL FLUORIDE
Technical Specifications
| Molecular Formula | C10H12FNO4S |
| Molecular Weight | 261.04712 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.04712 Da |
| Heavy Atoms | 17 |
| Complexity | 390.0 |
| SMILES | CC(C)(C)C1=C(C=C(C=C1)S(=O)(=O)F)[N+](=O)[O-] |
| InChIKey | NJWWTBFXWQPIJJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride
Property Insights of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride
The XLogP value of 3.2 indicates that 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride 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 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride?
The CAS number of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride is 108045-30-3.
What is the molecular formula of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride?
The molecular formula of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride is C10H12FNO4S.
What is the molecular weight of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride?
The molecular weight of 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride is 261.04712 g/mol.
Where can I buy 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride?
You can request a quote for 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride?
Yes, CoreyChem provides custom synthesis services for 4-Tert-butyl-3-nitrobenzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.