![(E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one structure](/static/products/353/353772-31-3.png)
(E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
TL;DR: (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one (CAS 353772-31-3) is a chemical compound with molecular formula C19H19F3N4O2S and molecular weight 424.12 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-[C-ethyl-N-(oxolan-2-ylmethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(tetrahydrofuran-2-ylmethyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-[(TETRAHYDRO-2-FURANYLMETHYL)PROPANIMIDOYL]-5-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, 2-(1,3-benzothiazol-2-yl)-4-[1-(oxolan-2-ylmethylamino)propylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{1-[(tetrahydro-2-furanylmethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H19F3N4O2S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.1722 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.11807 |
| Heavy Atoms | 29 |
| Complexity | 1073.7902 |
Chemical Identifiers
| CAS Number | 353772-31-3 |
|---|---|
| SMILES | CCC(=NCC1CCCO1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
(E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one (CAS 353772-31-3), with molecular formula C19H19F3N4O2S and molecular weight 424.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-(oxolan-2-ylmethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
Property Insights of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
The XLogP value of 4.1722 indicates that (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-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 (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
The CAS number of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is 353772-31-3.
What is the molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
The molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is C19H19F3N4O2S.
What is the molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
The molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is 424.12 g/mol.
Where can I buy (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
You can request a quote for (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.