![Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate structure](/static/products/1008/1008185-62-3.webp)
Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
TL;DR: Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1008185-62-3) is a chemical compound with molecular formula C15H16N4O6S and molecular weight 380.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, VU0507765-1, F3034-0350, methyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, METHYL 2-(1-{[(2-NITROPHENYL)FORMAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE
Technical Specifications
| Molecular Formula | C15H16N4O6S |
| Molecular Weight | 380.07904 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.07904 Da |
| Heavy Atoms | 26 |
| Complexity | 607.0 |
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | DIUBWUKCAZATLD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
Property Insights of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. The TPSA of 166.0 Ų indicates high polarity, suggesting Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl (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
What is the CAS number of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The CAS number of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 1008185-62-3.
What is the molecular formula of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular formula of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is C15H16N4O6S.
What is the molecular weight of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular weight of Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 380.07904 g/mol.
Where can I buy Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
You can request a quote for Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.