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Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate
TL;DR: Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate (CAS 708238-10-2) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methoxyphenyl)carbamothioylamino]acetate
Also Known As: ethyl 2-(3-(3-methoxyphenyl)thioureido)acetate, ethyl N-[(3-methoxyphenyl)carbamothioyl]glycinate, ethyl 2-[(3-methoxyphenyl)carbamothioylamino]acetate, ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.5447 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 423.53848 |
Chemical Identifiers
| CAS Number | 708238-10-2 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)NC1=CC(=CC=C1)OC |
Product Overview
Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate (CAS 708238-10-2), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: ethyl 2-[(3-methoxyphenyl)carbamothioylamino]acetate.
Chemical Property Profile of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate
Property Insights of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate
The XLogP value of 1.5447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate. With a topological polar surface area (TPSA) of 59.59 Ų, Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate has 2 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-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate?
The CAS number of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate is 708238-10-2.
What is the molecular formula of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate?
The molecular formula of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate is C12H16N2O3S.
What is the molecular weight of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate?
The molecular weight of Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate is 268.09 g/mol.
Where can I buy Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate?
You can request a quote for Ethyl 2-({[(3-methoxyphenyl)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-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.