![[1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester structure](/static/products/1008/1008386-73-9.webp)
[1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester
TL;DR: [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester (CAS 1008386-73-9) is a chemical compound with molecular formula C12H19N3O3S and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(2-methylprop-2-enylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
Also Known As: [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester|methyl 2-(1-((2-methylallyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate|methyl 2-[1-(2-methylprop-2-enylcarbamothioyl)-3-oxopiperazin-2-yl]acetate|methyl {1-[(2-methylprop-2-en-1-yl)carbamothioyl]-3-oxopiperazin-2-yl}acetate|methyl 2-(1-{[(2-methylprop-2-enyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)ace tate|MLS000331683|SMR000220804
| Molecular Formula | C12H19N3O3S |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | -0.1995 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.11472 |
| Heavy Atoms | 19 |
| Complexity | 397.68085 |
Chemical Identifiers
| CAS Number | 1008386-73-9 |
|---|---|
| SMILES | CC(=C)CNC(=S)N1CCNC(=O)C1CC(=O)OC |
Product Overview
[1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester (CAS 1008386-73-9), with molecular formula C12H19N3O3S and molecular weight 285.11 g/mol. IUPAC: methyl 2-[1-(2-methylprop-2-enylcarbamothioyl)-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester
Property Insights of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester
The XLogP value of -0.1995 indicates that [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester. Following Lipinski's Rule of Five, [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester 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 [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester?
The CAS number of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester is 1008386-73-9.
What is the molecular formula of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester?
The molecular formula of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester is C12H19N3O3S.
What is the molecular weight of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester?
The molecular weight of [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester is 285.11 g/mol.
Where can I buy [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester?
You can request a quote for [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for [1-(2-Methyl-allylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.