3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide
TL;DR: 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide (CAS 5577-52-6) is a chemical compound with molecular formula C23H27FN2O2S and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide
Also Known As: 3,5-di-tert-butyl-4-fluoro-N-3-quinolinylbenzenesulfonamide, A1844/0077584, 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide, 3,5-di-tert-butyl-4-fluoro-N-(quinolin-3-yl)benzenesulfonamide, 3,5-DI-TERT-BUTYL-4-FLUORO-N-(QUINOLIN-3-YL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C23H27FN2O2S |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 5.7697 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.17773 |
| Heavy Atoms | 29 |
| Complexity | 1138.4326 |
Chemical Identifiers
| CAS Number | 5577-52-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1F)C(C)(C)C)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2 |
Product Overview
3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide (CAS 5577-52-6), with molecular formula C23H27FN2O2S and molecular weight 414.18 g/mol. IUPAC: 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide.
Chemical Property Profile of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide
Property Insights of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide
The XLogP value of 5.7697 indicates that 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide?
The CAS number of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide is 5577-52-6.
What is the molecular formula of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide?
The molecular formula of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide is C23H27FN2O2S.
What is the molecular weight of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide?
The molecular weight of 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide is 414.18 g/mol.
Where can I buy 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide?
You can request a quote for 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-ditert-butyl-4-fluoro-N-quinolin-3-ylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.