![Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate structure](/static/products/500/500002-62-0.png)
Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
TL;DR: Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate (CAS 500002-62-0) is a chemical compound with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
Also Known As: BAS 01127792, ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate, 6-[(4-Ethoxy-phenylcarbamoyl)-methyl]-5-oxo-thiomorpholine-3-carboxylic acid ethyl ester, 5-keto-6-[2-keto-2-(p-phenetidino)ethyl]thiomorpholine-3-carboxylic acid ethyl ester, 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester
| Molecular Formula | C17H22N2O5S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 1.5772 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.12494 |
| Heavy Atoms | 25 |
| Complexity | 619.9692 |
Chemical Identifiers
| CAS Number | 500002-62-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)OCC |
Product Overview
Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate (CAS 500002-62-0), with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol. IUPAC: ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate.
Chemical Property Profile of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
Property Insights of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
The XLogP value of 1.5772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate has 2 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 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
The CAS number of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is 500002-62-0.
What is the molecular formula of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
The molecular formula of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is C17H22N2O5S.
What is the molecular weight of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
The molecular weight of Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is 366.12 g/mol.
Where can I buy Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
You can request a quote for Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.