Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate
TL;DR: Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate (CAS 25240-54-4) is a chemical compound with molecular formula C10H18Cl2N2O2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-methyl-5H-1,2-thiazole-4-carbonyl)oxyethyl-trimethylazanium chloride
Also Known As: Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate, Ethanaminium, 2-(((5-chloro-3-methyl-4-isothiazolyl)carbonyl)oxy)-N,N,N-trimethyl-, chloride, 2-{[(4-chloro-3-methyl-4,5-dihydro-1,2-thiazol-4-yl)carbonyl]oxy}-n,n,n-trimethylethanaminium chloride, 2-(4-chloro-3-methyl-5H-1,2-thiazole-4-carbonyl)oxyethyl-trimethylazanium chloride, 2-[(4-Chloro-3-methyl-4,5-dihydro-1,2-thiazole-4-carbonyl)oxy]-N,N,N-trimethylethan-1-aminium chloride
| Molecular Formula | C10H18Cl2N2O2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | -1.6599 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.0466 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 25240-54-4 |
|---|---|
| SMILES | CC1=NSCC1(C(=O)OCC[N+](C)(C)C)Cl.[Cl-] |
| InChIKey | BKEXMHLZBZXDTL-UHFFFAOYSA-M |
Product Overview
Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate (CAS 25240-54-4), with molecular formula C10H18Cl2N2O2S and molecular weight 300.05 g/mol. IUPAC: 2-(4-chloro-3-methyl-5H-1,2-thiazole-4-carbonyl)oxyethyl-trimethylazanium chloride.
Chemical Property Profile of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate
Property Insights of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate
The XLogP value of -1.6599 indicates that Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate. Following Lipinski's Rule of Five, Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate 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 Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate?
The CAS number of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate is 25240-54-4.
What is the molecular formula of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate?
The molecular formula of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate is C10H18Cl2N2O2S.
What is the molecular weight of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate?
The molecular weight of Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate is 300.05 g/mol.
Where can I buy Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate?
You can request a quote for Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Choline, chloride, 5-chloro-3-methyl-4-isothiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.