3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide
TL;DR: 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide (CAS 291536-79-3) is a chemical compound with molecular formula C21H25BrN2S and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexyl-N,4-diphenyl-1,3-thiazol-3-ium-2-amine bromide
Also Known As: 3-hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide, 3-HEXYL-4-PHENYL-2-(PHENYLAMINO)-1,3-THIAZOL-3-IUM BROMIDE, N-(3-hexyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)benzenaminium bromide, 3-hexyl-N,4-diphenyl-1,3-thiazol-3-ium-2-amine bromide, 3-hexyl-N,4-diphenyl-1,3-thiazol-3-ium-2-amine;bromide
| Molecular Formula | C21H25BrN2S |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 3.0305 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.0922 |
| Heavy Atoms | 25 |
| Complexity | 741.1023 |
Chemical Identifiers
| CAS Number | 291536-79-3 |
|---|---|
| SMILES | CCCCCC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=CC=C3.[Br-] |
Product Overview
3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide (CAS 291536-79-3), with molecular formula C21H25BrN2S and molecular weight 416.09 g/mol. IUPAC: 3-hexyl-N,4-diphenyl-1,3-thiazol-3-ium-2-amine bromide.
Chemical Property Profile of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide
Property Insights of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide
The XLogP value of 3.0305 indicates that 3-Hexyl-4-phenyl-2-(phenylamino)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, 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyl-4-phenyl-2-(phenylamino)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-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide?
The CAS number of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide is 291536-79-3.
What is the molecular formula of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide?
The molecular formula of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide is C21H25BrN2S.
What is the molecular weight of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide?
The molecular weight of 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide is 416.09 g/mol.
Where can I buy 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide?
You can request a quote for 3-Hexyl-4-phenyl-2-(phenylamino)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-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyl-4-phenyl-2-(phenylamino)thiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.