![4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide structure](/static/products/849/849066-30-4.png)
4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide
TL;DR: 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide (CAS 849066-30-4) is a chemical compound with molecular formula C16H17BrF6N2S and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butyl-3-methyl-1,3-thiazol-3-ium-2-amine bromide
Also Known As: 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide, 2-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-tert-butyl-3-methyl-1,3-thiazol-3-ium bromide, N-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-4-tert-butyl-1,3-thiazol-2-amine Bromide, N-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butyl-3-methyl-1,3-thiazol-3-ium-2-amine bromide, N-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butyl-3-methyl-1,3-thiazol-3-ium-2-amine;bromide
| Molecular Formula | C16H17BrF6N2S |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 2.6553 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.02 |
| Heavy Atoms | 26 |
| Complexity | 742.263 |
Chemical Identifiers
| CAS Number | 849066-30-4 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=[N+]1C)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Br-] |
Product Overview
4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide (CAS 849066-30-4), with molecular formula C16H17BrF6N2S and molecular weight 462.02 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butyl-3-methyl-1,3-thiazol-3-ium-2-amine bromide.
Chemical Property Profile of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide
Property Insights of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide
The XLogP value of 2.6553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide. With a topological polar surface area (TPSA) of 15.91 Ų, 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-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 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide?
The CAS number of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide is 849066-30-4.
What is the molecular formula of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide?
The molecular formula of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide is C16H17BrF6N2S.
What is the molecular weight of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide?
The molecular weight of 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide is 462.02 g/mol.
Where can I buy 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide?
You can request a quote for 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-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 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-2-[3,5-di(trifluoromethyl)anilino]-3-methyl-1,3-thiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.