![(4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one structure](/static/products/371/371934-27-9.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 371934-27-9) is a chemical compound with molecular formula C18H12F3N5OS and molecular weight 403.07 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-(pyridin-4-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(((pyridin-4-ylmethyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(pyridin-4-ylmethyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-{(E)-1-[(4-PYRIDYLMETHYL)AMINO]METHYLIDENE}-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C18H12F3N5OS |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.8082 |
| Topological Polar Surface Area | 75.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.07147 |
| Heavy Atoms | 28 |
| Complexity | 1174.4124 |
Chemical Identifiers
| CAS Number | 371934-27-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)C(F)(F)F)C=NCC4=CC=NC=C4 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 371934-27-9), with molecular formula C18H12F3N5OS and molecular weight 403.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(pyridin-4-ylmethyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 3.8082 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one has 1 hydrogen bond donor(s) and 5 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 (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is 371934-27-9.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is C18H12F3N5OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one is 403.07 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)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 (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pyridin-4-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.