![Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate structure](/static/products/7082/708236-95-7.webp)
Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate
TL;DR: Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate (CAS 708236-95-7) is a chemical compound with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]acetate
Also Known As: ethyl 2-(3-(2-methoxy-4-nitrophenyl)thioureido)acetate, ethyl N-[(2-methoxy-4-nitrophenyl)carbamothioyl]glycinate, ethyl 2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]acetate, ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate
| Molecular Formula | C12H15N3O5S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 1.4529 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.07324 |
| Heavy Atoms | 21 |
| Complexity | 549.69446 |
Chemical Identifiers
| CAS Number | 708236-95-7 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC |
Product Overview
Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate (CAS 708236-95-7), with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol. IUPAC: ethyl 2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]acetate.
Chemical Property Profile of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate
Property Insights of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate
The XLogP value of 1.4529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate. Following Lipinski's Rule of Five, Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate 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 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate?
The CAS number of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate is 708236-95-7.
What is the molecular formula of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate?
The molecular formula of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate is C12H15N3O5S.
What is the molecular weight of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate?
The molecular weight of Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate is 313.07 g/mol.
Where can I buy Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate?
You can request a quote for Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}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-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.