(Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
TL;DR: (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (CAS 900291-86-3) is a chemical compound with molecular formula C12H10N6O5 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[2-(2-nitrophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethylidene]amino] N-methylcarbamate
Also Known As: (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, [(Z)-[2-(2-nitrophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethylidene]amino] N-methylcarbamate, [[2-(2-nitrophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethylidene]amino] N-methylcarbamate
| Molecular Formula | C12H10N6O5 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 0.5868 |
| Topological Polar Surface Area | 141.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.07126 |
| Heavy Atoms | 23 |
| Complexity | 770.0083 |
Chemical Identifiers
| CAS Number | 900291-86-3 |
|---|---|
| SMILES | CNC(=O)O/N=C(/C(=O)C1=CC=CC=C1[N+](=O)[O-])\N2C=NC=N2 |
Product Overview
(Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (CAS 900291-86-3), with molecular formula C12H10N6O5 and molecular weight 318.07 g/mol. IUPAC: [(Z)-[2-(2-nitrophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethylidene]amino] N-methylcarbamate.
Chemical Property Profile of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
Property Insights of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
The XLogP value of 0.5868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The TPSA of 141.61 Ų indicates high polarity, suggesting (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone has 1 hydrogen bond donor(s) and 8 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 (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone?
The CAS number of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is 900291-86-3.
What is the molecular formula of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone?
The molecular formula of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is C12H10N6O5.
What is the molecular weight of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone?
The molecular weight of (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is 318.07 g/mol.
Where can I buy (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone?
You can request a quote for (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(((methylcarbamoyl)oxy)imino)-1-(2-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.