Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
TL;DR: Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate (CAS 897734-10-0) is a chemical compound with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
Also Known As: F1366-0237, ethyl (2Z)-2-(butanoylimino)-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate, ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate, (Z)-ethyl 2-(butyrylimino)-3-(2-methoxy-2-oxoethyl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C17H20N2O5S |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 2.2799 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.10928 |
| Heavy Atoms | 25 |
| Complexity | 865.53564 |
Chemical Identifiers
| CAS Number | 897734-10-0 |
|---|---|
| SMILES | CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CC(=O)OC |
Product Overview
Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate (CAS 897734-10-0), with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol. IUPAC: ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
Property Insights of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.2799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate has 0 hydrogen bond donor(s) and 6 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 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate?
The CAS number of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate is 897734-10-0.
What is the molecular formula of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate?
The molecular formula of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate is C17H20N2O5S.
What is the molecular weight of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate?
The molecular weight of Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate is 364.11 g/mol.
Where can I buy Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate?
You can request a quote for Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-butanoylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.