![Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate structure](/static/products/2948/294890-91-8.webp)
Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
TL;DR: Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate (CAS 294890-91-8) is a chemical compound with molecular formula C22H14N2O7 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
Also Known As: BIM-0006195.P001, methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate, methyl 3-(5-(4-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)benzoate, methyl 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate, methyl 3-(5-{4-nitrophenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
| Molecular Formula | C22H14N2O7 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 3.9743 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0801 |
| Heavy Atoms | 31 |
| Complexity | 1234.8618 |
Chemical Identifiers
| CAS Number | 294890-91-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate (CAS 294890-91-8), with molecular formula C22H14N2O7 and molecular weight 418.08 g/mol. IUPAC: methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate.
Chemical Property Profile of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
Property Insights of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
The XLogP value of 3.9743 indicates that Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate. Following Lipinski's Rule of Five, Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate has 0 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 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
The CAS number of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is 294890-91-8.
What is the molecular formula of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
The molecular formula of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is C22H14N2O7.
What is the molecular weight of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
The molecular weight of Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is 418.08 g/mol.
Where can I buy Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
You can request a quote for Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.