(E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one
TL;DR: (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one (CAS 331868-95-2) is a chemical compound with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-chlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
Also Known As: (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one, (5E)-5-[(2-chlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
| Molecular Formula | C14H13ClN2OS |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0437 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 331868-95-2 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=O)/C(=C\C3=CC=CC=C3Cl)/S2 |
| InChIKey | VCQIGXPFOXYQTK-FMIVXFBMSA-N |
Product Overview
(E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one (CAS 331868-95-2), with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol. IUPAC: (5E)-5-[(2-chlorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.
Chemical Property Profile of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one
Property Insights of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one
The XLogP value of 3.6 indicates that (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one has 0 hydrogen bond donor(s) and 2 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 (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one?
The CAS number of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one is 331868-95-2.
What is the molecular formula of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one?
The molecular formula of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one is C14H13ClN2OS.
What is the molecular weight of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one?
The molecular weight of (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one is 292.04 g/mol.
Where can I buy (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one?
You can request a quote for (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2-chlorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.