![[2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate structure](/static/products/6918/691863-31-7.webp)
[2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
TL;DR: [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CAS 691863-31-7) is a chemical compound with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: AS-871/43239065, [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate, [N-(4-methoxy-2-nitrophenyl)carbamoyl]methyl 2-(1,3-dioxobenzo[c]azolin-2-yl)p ropanoate, 2-((4-Methoxy-2-nitrophenyl)amino)-2-oxoethyl 2-(1,3-dioxoisoindolin-2-yl)propanoate, 2-{2-nitro-4-methoxyanilino}-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
| Molecular Formula | C20H17N3O8 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 1.7698 |
| Topological Polar Surface Area | 145.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10156 |
| Heavy Atoms | 31 |
| Complexity | 1062.5825 |
Chemical Identifiers
| CAS Number | 691863-31-7 |
|---|---|
| SMILES | CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
[2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CAS 691863-31-7), with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol. IUPAC: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
Property Insights of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
The XLogP value of 1.7698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate. The TPSA of 145.15 Ų indicates high polarity, suggesting [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate 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 [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The CAS number of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is 691863-31-7.
What is the molecular formula of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The molecular formula of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is C20H17N3O8.
What is the molecular weight of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The molecular weight of [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is 427.10 g/mol.
Where can I buy [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
You can request a quote for [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Methoxy-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.