2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide
TL;DR: 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide (CAS 849066-34-8) is a chemical compound with molecular formula C19H18BrCl2FN2S and molecular weight 473.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine bromide
Also Known As: 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide, 2-[(3-chloro-4-fluorophenyl)amino]-4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium bromide, N-(3-chloro-4-fluoro-phenyl)-4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-amine Bromide, N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine bromide, N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine;bromide
| Molecular Formula | C19H18BrCl2FN2S |
|---|---|
| Molecular Weight | 473.97 g/mol |
| LogP | 3.5521 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.9735 |
| Heavy Atoms | 26 |
| Complexity | 881.74567 |
Chemical Identifiers
| CAS Number | 849066-34-8 |
|---|---|
| SMILES | CC(C)C[N+]1=C(SC=C1C2=CC=C(C=C2)Cl)NC3=CC(=C(C=C3)F)Cl.[Br-] |
Product Overview
2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide (CAS 849066-34-8), with molecular formula C19H18BrCl2FN2S and molecular weight 473.97 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-3-ium-2-amine bromide.
Chemical Property Profile of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide
Property Insights of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide
The XLogP value of 3.5521 indicates that 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.91 Ų, 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-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 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide?
The CAS number of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide is 849066-34-8.
What is the molecular formula of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide?
The molecular formula of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide is C19H18BrCl2FN2S.
What is the molecular weight of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide?
The molecular weight of 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide is 473.97 g/mol.
Where can I buy 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide?
You can request a quote for 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-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 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)-3-isobutyl-1,3-thiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.