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Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate
TL;DR: Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate (CAS 618397-02-7) is a chemical compound with molecular formula C8H13NO5S and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoacetate
Also Known As: BAS 07326430, ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate, ethyl 2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoacetate, ethyl [N-(1,1-dioxothiolan-3-yl)carbamoyl]formate, ethyl 2-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-2-oxoacetate
| Molecular Formula | C8H13NO5S |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | -1.1472 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.05144 |
| Heavy Atoms | 15 |
| Complexity | 361.22833 |
Chemical Identifiers
| CAS Number | 618397-02-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1CCS(=O)(=O)C1 |
Product Overview
Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate (CAS 618397-02-7), with molecular formula C8H13NO5S and molecular weight 235.05 g/mol. IUPAC: ethyl 2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate
Property Insights of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate
The XLogP value of -1.1472 indicates that Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate. Following Lipinski's Rule of Five, Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate has 1 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 Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate?
The CAS number of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate is 618397-02-7.
What is the molecular formula of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate?
The molecular formula of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate is C8H13NO5S.
What is the molecular weight of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate?
The molecular weight of Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate is 235.05 g/mol.
Where can I buy Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate?
You can request a quote for Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(1,1-dioxidotetrahydrothiophen-3-yl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.