![2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate structure](/static/products/847/847338-90-3.png)
2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate
TL;DR: 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate (CAS 847338-90-3) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate
Also Known As: 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate, 5-[[2-(benzenesulfonyloxy)phenyl]methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one, (Z)-2-((2-(4-methylpiperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate, [2-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate, 2-{(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenyl benzenesulfonate
| Molecular Formula | C21H21N3O4S2 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 2.672 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.09735 |
| Heavy Atoms | 30 |
| Complexity | 1106.0812 |
Chemical Identifiers
| CAS Number | 847338-90-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)/S2 |
Product Overview
2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate (CAS 847338-90-3), with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol. IUPAC: [2-[(Z)-[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate.
Chemical Property Profile of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate
Property Insights of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate
The XLogP value of 2.672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate. Following Lipinski's Rule of Five, 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate has 0 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 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate?
The CAS number of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate is 847338-90-3.
What is the molecular formula of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate?
The molecular formula of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate is C21H21N3O4S2.
What is the molecular weight of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate?
The molecular weight of 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate is 443.10 g/mol.
Where can I buy 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate?
You can request a quote for 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(5E)-2-(4-methylpiperazin-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.