![Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate structure](/static/products/868/868215-01-4.png)
Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate (CAS 868215-01-4) is a chemical compound with molecular formula C15H16N2O5S and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate
Also Known As: ethyl 4-[2-(3,5-dioxothiomorpholin-4-yl)acetamido]benzoate, ethyl 4-(2-(3,5-dioxothiomorpholino)acetamido)benzoate, ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate, 4-[[2-(3,5-diketothiomorpholin-4-yl)acetyl]amino]benzoic acid ethyl ester, ethyl 4-[2-[3,5-bis(oxidanylidene)thiomorpholin-4-yl]ethanoylamino]benzoate
| Molecular Formula | C15H16N2O5S |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 0.9038 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.078 |
| Heavy Atoms | 23 |
| Complexity | 613.25934 |
Chemical Identifiers
| CAS Number | 868215-01-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CSCC2=O |
Product Overview
Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate (CAS 868215-01-4), with molecular formula C15H16N2O5S and molecular weight 336.08 g/mol. IUPAC: ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate
The XLogP value of 0.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate has 1 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 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate is 868215-01-4.
What is the molecular formula of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate is C15H16N2O5S.
What is the molecular weight of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate is 336.08 g/mol.
Where can I buy Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(3,5-dioxothiomorpholin-4-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.