chloride
TL;DR: chloride (CAS 147366-41-4) is a chemical compound with molecular formula C21H22ClN3OS2 and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one chloride
Also Known As: chloride, Mkt 077, FJ 776, MKT 077; MKT077; FJ-776; FJ 776; FJ776, 1-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
| Molecular Formula | C21H22ClN3OS2 |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | -0.6223 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.0893 |
| Heavy Atoms | 28 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 147366-41-4 |
|---|---|
| SMILES | CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-] |
| InChIKey | VSKYOTRJSLYFHX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
chloride (CAS 147366-41-4), with molecular formula C21H22ClN3OS2 and molecular weight 431.09 g/mol. IUPAC: 3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one chloride.
Chemical Property Profile of chloride
Property Insights of chloride
The XLogP value of -0.6223 indicates that chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for chloride. Following Lipinski's Rule of Five, chloride has 0 hydrogen bond donor(s) and 5 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 chloride?
The CAS number of chloride is 147366-41-4.
What is the molecular formula of chloride?
The molecular formula of chloride is C21H22ClN3OS2.
What is the molecular weight of chloride?
The molecular weight of chloride is 431.09 g/mol.
Where can I buy chloride?
You can request a quote for chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloride?
Yes, KEHONG BIO provides custom synthesis services for chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.