![[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate structure](/static/products/5743/5743-88-4.webp)
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
TL;DR: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate (CAS 5743-88-4) is a chemical compound with molecular formula C19H20N6O8 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Also Known As: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate|(5-methoxy-2-methyl-4-nitro-phenyl)carbamoylmethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate|2-(5-Methoxy-2-methyl-4-nitroanilino)-2-oxoethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
| Molecular Formula | C19H20N6O8 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | -0.15918 |
| Topological Polar Surface Area | 169.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.13425 |
| Heavy Atoms | 33 |
| Complexity | 1399.9995 |
Chemical Identifiers
| CAS Number | 5743-88-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC)[N+](=O)[O-] |
Product Overview
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate (CAS 5743-88-4), with molecular formula C19H20N6O8 and molecular weight 460.13 g/mol. IUPAC: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Property Insights of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
The XLogP value of -0.15918 indicates that [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.59 Ų indicates high polarity, suggesting [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate has 1 hydrogen bond donor(s) and 9 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 [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
The CAS number of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is 5743-88-4.
What is the molecular formula of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
The molecular formula of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is C19H20N6O8.
What is the molecular weight of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
The molecular weight of [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate is 460.13 g/mol.
Where can I buy [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
You can request a quote for [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.