Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate
TL;DR: Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate (CAS 877800-09-4) is a chemical compound with molecular formula C13H19NO3S and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[butyl(thiophen-2-ylmethyl)amino]-2-oxoacetate
Also Known As: Ethyl (butyl-(thiophen-2-ylmethyl)carbamoyl)formate, ethyl [butyl(thiophen-2-ylmethyl)amino](oxo)acetate, ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate, ethyl 2-[butyl(thiophen-2-ylmethyl)amino]-2-oxoacetate
| Molecular Formula | C13H19NO3S |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.4399 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.10855 |
| Heavy Atoms | 18 |
| Complexity | 375.5979 |
Chemical Identifiers
| CAS Number | 877800-09-4 |
|---|---|
| SMILES | CCCCN(CC1=CC=CS1)C(=O)C(=O)OCC |
Product Overview
Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate (CAS 877800-09-4), with molecular formula C13H19NO3S and molecular weight 269.11 g/mol. IUPAC: ethyl 2-[butyl(thiophen-2-ylmethyl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate
Property Insights of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate
The XLogP value of 2.4399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate?
The CAS number of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate is 877800-09-4.
What is the molecular formula of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate?
The molecular formula of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate is C13H19NO3S.
What is the molecular weight of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate?
The molecular weight of Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate is 269.11 g/mol.
Where can I buy Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate?
You can request a quote for Ethyl 2-(butyl(thiophen-2-ylmethyl)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-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(butyl(thiophen-2-ylmethyl)amino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.