![(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/847/847572-71-8.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS 847572-71-8) is a chemical compound with molecular formula C20H22N6OS and molecular weight 394.16 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-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(1H-imidazol-5-yl)ethylamino]ethylidene]-5-propylpyrazol-3-one, (Z)-4-(1-((2-(1H-imidazol-4-yl)ethyl)amino)ethylidene)-1-(benzo[d]thiazol-2-yl)-3-propyl-1H-pyrazol-5(4H)-one, 1-benzothiazol-2-yl-4-{[(2-imidazol-4-ylethyl)amino]ethylidene}-3-propyl-1,2-d iazolin-5-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-((E)-1-{[2-(1H-IMIDAZOL-4-YL)ETHYL]AMINO}ETHYLIDENE)-5-PROPYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C20H22N6OS |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 3.5026 |
| Topological Polar Surface Area | 91.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1576 |
| Heavy Atoms | 28 |
| Complexity | 1132.218 |
Chemical Identifiers
| CAS Number | 847572-71-8 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NCCC4=CN=CN4)C |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one (CAS 847572-71-8), with molecular formula C20H22N6OS and molecular weight 394.16 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methylcarbonimidoyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.5026 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one has 2 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-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one is 847572-71-8.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one is C20H22N6OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one is 394.16 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-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 (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.