![4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3549/354997-84-5.webp)
4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 354997-84-5) is a chemical compound with molecular formula C24H25F3N4OS and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(1-adamantyl)ethyliminomethyl]-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[[1-(1-adamantyl)ethylamino]methylidene]-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazol-3-one, 4-[1-(1-Adamantyl)ethyliminomethyl]-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-4-(((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)methylene)-1-(benzo[d]thiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C24H25F3N4OS |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 5.8179 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.1701 |
| Heavy Atoms | 33 |
| Complexity | 1232.7184 |
Chemical Identifiers
| CAS Number | 354997-84-5 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)N=CC4=C(NN(C4=O)C5=NC6=CC=CC=C6S5)C(F)(F)F |
Product Overview
4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 354997-84-5), with molecular formula C24H25F3N4OS and molecular weight 474.17 g/mol. IUPAC: 4-[1-(1-adamantyl)ethyliminomethyl]-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 5.8179 indicates that 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-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 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-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 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 354997-84-5.
What is the molecular formula of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C24H25F3N4OS.
What is the molecular weight of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 474.17 g/mol.
Where can I buy 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-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 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.