2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
TL;DR: 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate (CAS 22164-92-7) is a chemical compound with molecular formula C9H13ClN2O2S and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Also Known As: 5-Bromo-1-phenyl-1H-benzoimidazole, 5-Chloro-3-methyl-4-isothiazolecarboxylic acid 2-(dimethylamino)ethyl ester, 2-(dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate, 2-dimethylaminoethyl5-chloro-3-methyl-thiazole-4-carboxylate, 2-dimethylaminoethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
| Molecular Formula | C9H13ClN2O2S |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.03862 |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 22164-92-7 |
|---|---|
| SMILES | CC1=NSC(=C1C(=O)OCCN(C)C)Cl |
| InChIKey | VIWPFHJCPBDCTB-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate (CAS 22164-92-7), with molecular formula C9H13ClN2O2S and molecular weight 248.04 g/mol. IUPAC: 2-(dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate.
Chemical Property Profile of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Property Insights of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate 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 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate?
The CAS number of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate is 22164-92-7.
What is the molecular formula of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate?
The molecular formula of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate is C9H13ClN2O2S.
What is the molecular weight of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate?
The molecular weight of 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate is 248.04 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate?
You can request a quote for 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.