(5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
TL;DR: (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one (CAS 470449-36-6) is a chemical compound with molecular formula C14H12ClFN2OS and molecular weight 310.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
Also Known As: (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one, (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one, (Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one, (5Z)-5-[(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]-2-(PYRROLIDIN-1-YL)-4,5-DIHYDRO-1,3-THIAZOL-4-ONE
| Molecular Formula | C14H12ClFN2OS |
|---|---|
| Molecular Weight | 310.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0343 |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 470449-36-6 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=O)/C(=C/C3=C(C=CC=C3Cl)F)/S2 |
| InChIKey | MDGKBNTVPBGUCW-WQLSENKSSA-N |
Product Overview
(5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one (CAS 470449-36-6), with molecular formula C14H12ClFN2OS and molecular weight 310.03 g/mol. IUPAC: (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.
Chemical Property Profile of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Property Insights of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
The XLogP value of 3.7 indicates that (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-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, (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one has 0 hydrogen bond donor(s) and 3 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 (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one?
The CAS number of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one is 470449-36-6.
What is the molecular formula of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one?
The molecular formula of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one is C14H12ClFN2OS.
What is the molecular weight of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one?
The molecular weight of (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one is 310.03 g/mol.
Where can I buy (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one?
You can request a quote for (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-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 (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.