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Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate
TL;DR: Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate (CAS 1041857-53-7) is a chemical compound with molecular formula C19H19N3O4S2 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate
Also Known As: Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate, benzyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate, Benzyl {3-oxo-1-[(thiophene-2-carbonyl)carbamothioyl]piperazin-2-yl}acetate, Benzyl 2-[3-oxo-1-(thiophene-2-carbonylthiocarbamoyl)piperazin-2-yl]acetate
| Molecular Formula | C19H19N3O4S2 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 1.6967 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0817 |
| Heavy Atoms | 28 |
| Complexity | 855.32837 |
Chemical Identifiers
| CAS Number | 1041857-53-7 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CS3 |
Product Overview
Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate (CAS 1041857-53-7), with molecular formula C19H19N3O4S2 and molecular weight 417.08 g/mol. IUPAC: benzyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate.
Chemical Property Profile of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate
Property Insights of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate
The XLogP value of 1.6967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate. Following Lipinski's Rule of Five, Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate has 2 hydrogen bond donor(s) and 6 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 Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate?
The CAS number of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate is 1041857-53-7.
What is the molecular formula of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate?
The molecular formula of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate is C19H19N3O4S2.
What is the molecular weight of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate?
The molecular weight of Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate is 417.08 g/mol.
Where can I buy Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate?
You can request a quote for Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 3-oxo-1-[[(2-thienylcarbonyl)amino]thioxomethyl]-2-piperazineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.