![5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one structure](/static/products/4780/478078-07-8.webp)
5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
TL;DR: 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one (CAS 478078-07-8) is a chemical compound with molecular formula C13H11ClN6OS and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
Also Known As: 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one, 5-[(6-chloropyridin-3-yl)methylidene]-3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one, 5-[(6-chloro-3-pyridyl)methylene]-3-ethyl-2-(1,2,4-triazol-4-ylimino)thiazolidin-4-one, C13H11ClN6OS
| Molecular Formula | C13H11ClN6OS |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 2.082 |
| Topological Polar Surface Area | 76.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.04034 |
| Heavy Atoms | 22 |
| Complexity | 740.40063 |
Chemical Identifiers
| CAS Number | 478078-07-8 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CN=C(C=C2)Cl)SC1=NN3C=NN=C3 |
Product Overview
5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one (CAS 478078-07-8), with molecular formula C13H11ClN6OS and molecular weight 334.04 g/mol. IUPAC: 5-[(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
Property Insights of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
The XLogP value of 2.082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one. The TPSA of 76.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one. Following Lipinski's Rule of Five, 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one 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 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one?
The CAS number of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one is 478078-07-8.
What is the molecular formula of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one?
The molecular formula of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one is C13H11ClN6OS.
What is the molecular weight of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one?
The molecular weight of 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one is 334.04 g/mol.
Where can I buy 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one?
You can request a quote for 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Z)-(6-chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.