3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide
TL;DR: 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide (CAS 849066-35-9) is a chemical compound with molecular formula C17H23BrClFN2S and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-ditert-butyl-N-(3-chloro-4-fluorophenyl)-1,3-thiazol-3-ium-2-amine bromide
Also Known As: 3,4-di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide, 3,4-DI(TERT-BUTYL)-2-(3-CHLORO-4-FLUOROANILINO)-1,3-THIAZOL-3-IUMBROMIDE, 3,4-di-tert-butyl-2-[(3-chloro-4-fluorophenyl)amino]-1,3-thiazol-3-ium bromide, 3,4-ditert-butyl-N-(3-chloro-4-fluorophenyl)-1,3-thiazol-3-ium-2-amine bromide, 3,4-ditert-butyl-N-(3-chloro-4-fluorophenyl)-1,3-thiazol-3-ium-2-amine;bromide
| Molecular Formula | C17H23BrClFN2S |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 2.6282 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.0438 |
| Heavy Atoms | 23 |
| Complexity | 686.87744 |
Chemical Identifiers
| CAS Number | 849066-35-9 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=[N+]1C(C)(C)C)NC2=CC(=C(C=C2)F)Cl.[Br-] |
Product Overview
3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide (CAS 849066-35-9), with molecular formula C17H23BrClFN2S and molecular weight 420.04 g/mol. IUPAC: 3,4-ditert-butyl-N-(3-chloro-4-fluorophenyl)-1,3-thiazol-3-ium-2-amine bromide.
Chemical Property Profile of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide
Property Insights of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide
The XLogP value of 2.6282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide. With a topological polar surface area (TPSA) of 15.91 Ų, 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide?
The CAS number of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide is 849066-35-9.
What is the molecular formula of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide?
The molecular formula of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide is C17H23BrClFN2S.
What is the molecular weight of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide?
The molecular weight of 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide is 420.04 g/mol.
Where can I buy 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide?
You can request a quote for 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Di(tert-butyl)-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.