![(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one structure](/static/products/3537/353780-95-7.webp)
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
TL;DR: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 353780-95-7) is a chemical compound with molecular formula C20H21F3N4OS and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-(cyclooctyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-benzothiazol-2-yl-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, 1-(1,3-BENZOTHIAZOL-2-YL)-4-[(Z)-1-(CYCLOOCTYLAMINO)METHYLIDENE]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-ONE, 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C20H21F3N4OS |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 5.3259 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.13882 |
| Heavy Atoms | 29 |
| Complexity | 1038.5116 |
Chemical Identifiers
| CAS Number | 353780-95-7 |
|---|---|
| SMILES | C1CCCC(CCC1)N=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 353780-95-7), with molecular formula C20H21F3N4OS and molecular weight 422.14 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(cyclooctyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
Property Insights of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 5.3259 indicates that (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is 353780-95-7.
What is the molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is C20H21F3N4OS.
What is the molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is 422.14 g/mol.
Where can I buy (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.