![Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate structure](/static/products/1008/1008396-26-6.webp)
Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate
TL;DR: Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate (CAS 1008396-26-6) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate
Also Known As: methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate, methyl {3-oxo-1-[(3-phenylpropanoyl)carbamothioyl]piperazin-2-yl}acetate, methyl 2-(3-oxo-1-((3-phenylpropanoyl)carbamothioyl)piperazin-2-yl)acetate, methyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 0.3838 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 650.55286 |
Chemical Identifiers
| CAS Number | 1008396-26-6 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2 |
Product Overview
Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate (CAS 1008396-26-6), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: methyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate.
Chemical Property Profile of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate
Property Insights of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate
The XLogP value of 0.3838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate. Following Lipinski's Rule of Five, Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate has 2 hydrogen bond donor(s) and 5 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 (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
The CAS number of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate is 1008396-26-6.
What is the molecular formula of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
The molecular formula of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate is C17H21N3O4S.
What is the molecular weight of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
The molecular weight of Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate is 363.13 g/mol.
Where can I buy Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
You can request a quote for Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-oxo-1-{[(3-phenylpropanoyl)amino]carbonothioyl}-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.