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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 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, methyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, METHYL 2-(1-{[(2-NITROPHENYL)FORMAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE, methyl {1-[(o-nitrobenzylamino)(thiocarbonyl)]-3-oxo-2-piperazinyl}acetate
| Molecular Formula | C15H16N4O6S |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | -0.027 |
| Topological Polar Surface Area | 130.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.07904 |
| Heavy Atoms | 26 |
| Complexity | 768.2584 |
Chemical Identifiers
| CAS Number | 1008185-62-3 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1008185-62-3), with molecular formula C15H16N4O6S and molecular weight 380.08 g/mol. IUPAC: methyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
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 -0.027 indicates that Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. 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
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 380.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
Yes, KEHONG BIO 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.