![2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one structure](/static/products/328/328280-15-5.png)
2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
TL;DR: 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 328280-15-5) is a chemical compound with molecular formula C17H15F3N4OS and molecular weight 380.09 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-(cyclopentyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (Z)-1-(benzo[d]thiazol-2-yl)-4-((cyclopentylamino)methylene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C17H15F3N4OS |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.1556 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.09186 |
| Heavy Atoms | 26 |
| Complexity | 991.7194 |
Chemical Identifiers
| CAS Number | 328280-15-5 |
|---|---|
| SMILES | C1CCC(C1)N=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 328280-15-5), with molecular formula C17H15F3N4OS and molecular weight 380.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(cyclopentyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
Property Insights of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 4.1556 indicates that 2-benzothiazol-2-yl-4-[(cyclopentylamino)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 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one. Following Lipinski's Rule of Five, 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one has 1 hydrogen bond donor(s) and 4 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-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is 328280-15-5.
What is the molecular formula of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is C17H15F3N4OS.
What is the molecular weight of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is 380.09 g/mol.
Where can I buy 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for 2-benzothiazol-2-yl-4-[(cyclopentylamino)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 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-benzothiazol-2-yl-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.