![(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one structure](/static/products/3537/353769-00-3.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one (CAS 353769-00-3) is a chemical compound with molecular formula C20H26N6OS and molecular weight 398.19 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-(2-piperazin-1-ylethyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-({[2-(1-piperazinyl)ethyl]amino}methylene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(2-piperazin-1-ylethyliminomethyl)-5-propyl-1H-pyrazol-3-one, 2-benzothiazol-2-yl-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propyl-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C20H26N6OS |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 2.0519 |
| Topological Polar Surface Area | 78.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.18887 |
| Heavy Atoms | 28 |
| Complexity | 978.29474 |
Chemical Identifiers
| CAS Number | 353769-00-3 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCN4CCNCC4 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one (CAS 353769-00-3), with molecular formula C20H26N6OS and molecular weight 398.19 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(2-piperazin-1-ylethyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one
The XLogP value of 2.0519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one. The TPSA of 78.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one has 2 hydrogen bond donor(s) and 6 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-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one is 353769-00-3.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one is C20H26N6OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one is 398.19 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-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-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-piperazin-1-ylethylamino)methylidene]-5-propylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.