![Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate structure](/static/products/6818/681838-81-3.webp)
Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate
TL;DR: Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate (CAS 681838-81-3) is a chemical compound with molecular formula C8H10N4O7 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate
Also Known As: A3100/0131270, dimethyl 2,2'-(3-nitro-5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)diacetate, methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate, methyl 2-[4-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
| Molecular Formula | C8H10N4O7 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | -1.701 |
| Topological Polar Surface Area | 135.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.05496 |
| Heavy Atoms | 19 |
| Complexity | 572.1428 |
Chemical Identifiers
| CAS Number | 681838-81-3 |
|---|---|
| SMILES | COC(=O)CN1C(=NN(C1=O)CC(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate (CAS 681838-81-3), with molecular formula C8H10N4O7 and molecular weight 274.05 g/mol. IUPAC: methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate.
Chemical Property Profile of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate
Property Insights of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate
The XLogP value of -1.701 indicates that Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate has 0 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 Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate?
The CAS number of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate is 681838-81-3.
What is the molecular formula of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate?
The molecular formula of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate is C8H10N4O7.
What is the molecular weight of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate?
The molecular weight of Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate is 274.05 g/mol.
Where can I buy Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate?
You can request a quote for Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[1-(2-methoxy-2-oxoethyl)-3-nitro-5-oxo-1,2,4-triazol-4-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.