![Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate structure](/static/products/7019/701926-65-0.webp)
Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate
TL;DR: Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate (CAS 701926-65-0) is a chemical compound with molecular formula C12H15ClN2O2S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)methylcarbamothioylamino]acetate
Also Known As: ethyl 2-(3-(4-chlorobenzyl)thioureido)acetate, ethyl N-[(4-chlorobenzyl)carbamothioyl]glycinate, ethyl 2-[(4-chlorophenyl)methylcarbamothioylamino]acetate, ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate
| Molecular Formula | C12H15ClN2O2S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 1.8672 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.0543 |
| Heavy Atoms | 18 |
| Complexity | 409.04337 |
Chemical Identifiers
| CAS Number | 701926-65-0 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)NCC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate (CAS 701926-65-0), with molecular formula C12H15ClN2O2S and molecular weight 286.05 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)methylcarbamothioylamino]acetate.
Chemical Property Profile of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate
Property Insights of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate
The XLogP value of 1.8672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate has 2 hydrogen bond donor(s) and 3 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-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate?
The CAS number of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate is 701926-65-0.
What is the molecular formula of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate?
The molecular formula of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate is C12H15ClN2O2S.
What is the molecular weight of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate?
The molecular weight of Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate is 286.05 g/mol.
Where can I buy Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate?
You can request a quote for Ethyl 2-[({[(4-chlorophenyl)methyl]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-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.