![Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate structure](/static/products/5589/5589-84-4.webp)
Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
TL;DR: Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate (CAS 5589-84-4) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
Also Known As: ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate, Ethyl N-[(phenylsulfanyl)carbonyl]glycylglycinate, Glycine,N-[N-(thiocarboxy)glycyl]-, ethyl S-phenyl ester (6CI,7CI,8CI), Glycine,N-[n-(thiocarboxy)glycyl]-,ethyl s-phenyl ester(6ci,7ci,8ci)
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 5589-84-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CNC(=O)SC1=CC=CC=C1 |
| InChIKey | IQQDZXKSZCRZPP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate (CAS 5589-84-4), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate.
Chemical Property Profile of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
Property Insights of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate. Following Lipinski's Rule of Five, Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate has 2 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 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate?
The CAS number of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate is 5589-84-4.
What is the molecular formula of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate?
The molecular formula of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate is C13H16N2O4S.
What is the molecular weight of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate?
The molecular weight of Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate is 296.08 g/mol.
Where can I buy Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate?
You can request a quote for Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.