Ethyl 4,5-dichloroisothiazole-3-carboxylate
TL;DR: Ethyl 4,5-dichloroisothiazole-3-carboxylate (CAS 296243-98-6) is a chemical compound with molecular formula C6H5Cl2NO2S and molecular weight 224.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dichloro-1,2-thiazole-3-carboxylate
Also Known As: ethyl 4,5-dichloroisothiazole-3-carboxylate, ethyl 4,5-dichloro-1,2-thiazole-3-carboxylate, Ethyl 4,5-dichloro-3-isothiazolecarboxylate, Ethyl 4,5-dichloro-3-isothiazolecarboxylate #, 4,5-Dichloro-isothiazole-3-carboxylic acid ethyl ester
| Molecular Formula | C6H5Cl2NO2S |
|---|---|
| Molecular Weight | 224.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.9418 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 296243-98-6 |
|---|---|
| SMILES | CCOC(=O)C1=NSC(=C1Cl)Cl |
| InChIKey | HQMXSUYUKRJYCL-UHFFFAOYSA-N |
Product Overview
Ethyl 4,5-dichloroisothiazole-3-carboxylate (CAS 296243-98-6), with molecular formula C6H5Cl2NO2S and molecular weight 224.94 g/mol. IUPAC: ethyl 4,5-dichloro-1,2-thiazole-3-carboxylate.
Chemical Property Profile of Ethyl 4,5-dichloroisothiazole-3-carboxylate
Property Insights of Ethyl 4,5-dichloroisothiazole-3-carboxylate
The XLogP value of 3.1 indicates that Ethyl 4,5-dichloroisothiazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,5-dichloroisothiazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4,5-dichloroisothiazole-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 4,5-dichloroisothiazole-3-carboxylate?
The CAS number of Ethyl 4,5-dichloroisothiazole-3-carboxylate is 296243-98-6.
What is the molecular formula of Ethyl 4,5-dichloroisothiazole-3-carboxylate?
The molecular formula of Ethyl 4,5-dichloroisothiazole-3-carboxylate is C6H5Cl2NO2S.
What is the molecular weight of Ethyl 4,5-dichloroisothiazole-3-carboxylate?
The molecular weight of Ethyl 4,5-dichloroisothiazole-3-carboxylate is 224.94 g/mol.
Where can I buy Ethyl 4,5-dichloroisothiazole-3-carboxylate?
You can request a quote for Ethyl 4,5-dichloroisothiazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,5-dichloroisothiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5-dichloroisothiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.