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Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate
TL;DR: Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate (CAS 349442-64-4) is a chemical compound with molecular formula C12H12N2O5S2 and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Also Known As: BAS 03033897, Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate, ethyl [(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]formate, ethyl {[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}(oxo)acetate, ethyl 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
| Molecular Formula | C12H12N2O5S2 |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 1.2014 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.01877 |
| Heavy Atoms | 21 |
| Complexity | 810.1622 |
Chemical Identifiers
| CAS Number | 349442-64-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C |
Product Overview
Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate (CAS 349442-64-4), with molecular formula C12H12N2O5S2 and molecular weight 328.02 g/mol. IUPAC: ethyl 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate
Property Insights of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate
The XLogP value of 1.2014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate has 1 hydrogen bond donor(s) and 7 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-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate?
The CAS number of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate is 349442-64-4.
What is the molecular formula of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate?
The molecular formula of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate is C12H12N2O5S2.
What is the molecular weight of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate?
The molecular weight of Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate is 328.02 g/mol.
Where can I buy Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate?
You can request a quote for Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[6-(methylsulfonyl)-2-benzothiazolyl]amino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.