![Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate structure](/static/products/1008/1008865-35-7.webp)
Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate
TL;DR: Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate (CAS 1008865-35-7) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate, methyl 2-(1-((2-ethylphenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, methyl {1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate, methyl 2-[1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, methyl (1-{[(2-ethylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 1.3093 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 605.98816 |
Chemical Identifiers
| CAS Number | 1008865-35-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=S)N2CCNC(=O)C2CC(=O)OC |
Product Overview
Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate (CAS 1008865-35-7), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: methyl 2-[1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate
Property Insights of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate
The XLogP value of 1.3093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)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 Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate?
The CAS number of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate is 1008865-35-7.
What is the molecular formula of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate?
The molecular formula of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate is C16H21N3O3S.
What is the molecular weight of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate?
The molecular weight of Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate is 335.13 g/mol.
Where can I buy Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate?
You can request a quote for Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-{[(2-ethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.