(Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
TL;DR: (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate (CAS 716331-47-4) is a chemical compound with molecular formula C26H22N4O6S2 and molecular weight 550.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(Z)-[2-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate
Also Known As: (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate, [2-[(Z)-[2-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate, 2-[(Z)-{2-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate
| Molecular Formula | C26H22N4O6S2 |
|---|---|
| Molecular Weight | 550.10 g/mol |
| LogP | 4.155 |
| Topological Polar Surface Area | 122.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 550.0981 |
| Heavy Atoms | 38 |
| Complexity | 1531.4177 |
Chemical Identifiers
| CAS Number | 716331-47-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)/C(=C/C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5)/S3 |
Product Overview
(Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate (CAS 716331-47-4), with molecular formula C26H22N4O6S2 and molecular weight 550.10 g/mol. IUPAC: [2-[(Z)-[2-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate.
Chemical Property Profile of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
Property Insights of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
The XLogP value of 4.155 indicates that (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate. Following Lipinski's Rule of Five, (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The CAS number of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is 716331-47-4.
What is the molecular formula of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The molecular formula of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is C26H22N4O6S2.
What is the molecular weight of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The molecular weight of (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is 550.10 g/mol.
Where can I buy (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
You can request a quote for (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-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 (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((2-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.