Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate
TL;DR: Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate (CAS 1321656-86-3) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate
Also Known As: ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate, F1819-1148, ethyl 2-[(2Z)-2-(butanoylimino)-5,7-dimethyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(2-(butyrylimino)-5,7-dimethylbenzo[d]thiazol-3(2H)-yl)acetate
Technical Specifications
| Molecular Formula | C17H22N2O3S |
| Molecular Weight | 334.1351 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1351 Da |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
| SMILES | CCCC(=O)N=C1N(C2=CC(=CC(=C2S1)C)C)CC(=O)OCC |
| InChIKey | ICSYRCNSKMKZEN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate
Property Insights of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate
The XLogP value of 3.8 indicates that Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate 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
What is the CAS number of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate?
The CAS number of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate is 1321656-86-3.
What is the molecular formula of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate?
The molecular formula of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate is C17H22N2O3S.
What is the molecular weight of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate?
The molecular weight of Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate is 334.1351 g/mol.
Where can I buy Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate?
You can request a quote for Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(2-butanoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.