![(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one structure](/static/products/371/371946-83-7.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one (CAS 371946-83-7) is a chemical compound with molecular formula C20H25N5O2S and molecular weight 399.17 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-morpholin-4-ylethyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(((2-morpholinoethyl)imino)methyl)-5-propyl-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-({[2-(4-morpholinyl)ethyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C20H25N5O2S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.17288 |
| Heavy Atoms | 28 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 371946-83-7 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCN4CCOCC4 |
| InChIKey | IJKFLEPPBWNWGC-UHFFFAOYSA-N |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one (CAS 371946-83-7), with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(2-morpholin-4-ylethyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one has 1 hydrogen bond donor(s) and 7 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-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one is 371946-83-7.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one is C20H25N5O2S.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one is 399.17 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-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-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-propylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.