![5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one structure](/static/products/586/586991-60-8.png)
5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one
TL;DR: 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one (CAS 586991-60-8) is a chemical compound with molecular formula C27H25N3O4S2 and molecular weight 519.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[2-(4-benzylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate
Also Known As: 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one, (E)-4-((2-(4-benzylpiperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate, [4-[(E)-[2-(4-benzylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate, 4-{(E)-[2-(4-benzylpiperazin-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenyl benzenesulfonate
| Molecular Formula | C27H25N3O4S2 |
|---|---|
| Molecular Weight | 519.13 g/mol |
| LogP | 4.2424 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.12866 |
| Heavy Atoms | 36 |
| Complexity | 1381.9509 |
Chemical Identifiers
| CAS Number | 586991-60-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)/S3 |
Product Overview
5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one (CAS 586991-60-8), with molecular formula C27H25N3O4S2 and molecular weight 519.13 g/mol. IUPAC: [4-[(E)-[2-(4-benzylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate.
Chemical Property Profile of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one
Property Insights of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one
The XLogP value of 4.2424 indicates that 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one. Following Lipinski's Rule of Five, 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one?
The CAS number of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one is 586991-60-8.
What is the molecular formula of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one?
The molecular formula of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one is C27H25N3O4S2.
What is the molecular weight of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one?
The molecular weight of 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one is 519.13 g/mol.
Where can I buy 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one?
You can request a quote for 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[[4-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.