(2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole
TL;DR: (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole (CAS 573930-89-9) is a chemical compound with molecular formula C24H20F3N3O2S and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[5-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Also Known As: (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole, (E)-2-(2-(5-methyl-2-(2-(3-(trifluoromethyl)phenoxy)ethoxy)benzylidene)hydrazinyl)benzo[d]thiazole, N-[(E)-[5-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine, N-[[5-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]phenyl]methylideneamino]benzothiazol-2-amine
| Molecular Formula | C24H20F3N3O2S |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 6.52732 |
| Topological Polar Surface Area | 55.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.12283 |
| Heavy Atoms | 33 |
| Complexity | 1238.287 |
Chemical Identifiers
| CAS Number | 573930-89-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCCOC2=CC=CC(=C2)C(F)(F)F)/C=N/NC3=NC4=CC=CC=C4S3 |
Product Overview
(2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole (CAS 573930-89-9), with molecular formula C24H20F3N3O2S and molecular weight 471.12 g/mol. IUPAC: N-[(E)-[5-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine.
Chemical Property Profile of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole
Property Insights of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole
The XLogP value of 6.52732 indicates that (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.74 Ų, (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole?
The CAS number of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole is 573930-89-9.
What is the molecular formula of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole?
The molecular formula of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole is C24H20F3N3O2S.
What is the molecular weight of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole?
The molecular weight of (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole is 471.12 g/mol.
Where can I buy (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole?
You can request a quote for (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(2E)-(5-methyl-2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}benzylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.