![(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one structure](/static/products/3537/353774-25-1.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one (CAS 353774-25-1) is a chemical compound with molecular formula C22H16N4OS2 and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one, 2-(1,3-Benzothiazol-2-yl)-5-phenyl-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-{[(thiophen-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C22H16N4OS2 |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 5.1229 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.07657 |
| Heavy Atoms | 29 |
| Complexity | 1311.763 |
Chemical Identifiers
| CAS Number | 353774-25-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=NC4=CC=CC=C4S3)C=NCC5=CC=CS5 |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one (CAS 353774-25-1), with molecular formula C22H16N4OS2 and molecular weight 416.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-(thiophen-2-ylmethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one
The XLogP value of 5.1229 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]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 (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one is 353774-25-1.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one is C22H16N4OS2.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one is 416.08 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]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)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.