![isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate structure](/static/products/104/1042721-08-3.png)
isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
TL;DR: isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1042721-08-3) is a chemical compound with molecular formula C17H20N4O6S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, propan-2-yl (1-{[(2-nitrophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate, propan-2-yl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, Propan-2-yl 2-[1-[(2-nitrobenzoyl)thiocarbamoyl]-3-oxo-piperazin-2-yl]acetate
| Molecular Formula | C17H20N4O6S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 0.7516 |
| Topological Polar Surface Area | 130.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.11035 |
| Heavy Atoms | 28 |
| Complexity | 812.5923 |
Chemical Identifiers
| CAS Number | 1042721-08-3 |
|---|---|
| SMILES | CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1042721-08-3), with molecular formula C17H20N4O6S and molecular weight 408.11 g/mol. IUPAC: propan-2-yl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
Property Insights of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
The XLogP value of 0.7516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. The TPSA of 130.88 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. Following Lipinski's Rule of Five, isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate has 2 hydrogen bond donor(s) and 7 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 isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The CAS number of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 1042721-08-3.
What is the molecular formula of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular formula of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is C17H20N4O6S.
What is the molecular weight of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular weight of isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 408.11 g/mol.
Where can I buy isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
You can request a quote for isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-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 isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.