(Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
TL;DR: (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate (CAS 844646-87-3) is a chemical compound with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate
Also Known As: (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate, [4-[(Z)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate, 4-{(Z)-[4-oxo-2-(pyrrolidin-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}phenyl benzenesulfonate
| Molecular Formula | C20H18N2O4S2 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 3.5204 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0708 |
| Heavy Atoms | 28 |
| Complexity | 1039.373 |
Chemical Identifiers
| CAS Number | 844646-87-3 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)/S2 |
Product Overview
(Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate (CAS 844646-87-3), with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol. IUPAC: [4-[(Z)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate.
Chemical Property Profile of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
Property Insights of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
The XLogP value of 3.5204 indicates that (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate. Following Lipinski's Rule of Five, (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate has 0 hydrogen bond donor(s) and 6 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 (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The CAS number of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is 844646-87-3.
What is the molecular formula of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The molecular formula of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is C20H18N2O4S2.
What is the molecular weight of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The molecular weight of (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is 414.07 g/mol.
Where can I buy (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
You can request a quote for (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-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)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((4-oxo-2-(pyrrolidin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.