![dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate structure](/static/products/2948/294891-21-7.webp)
dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate
TL;DR: dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate (CAS 294891-21-7) is a chemical compound with molecular formula C26H16N2O8 and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate, dimethyl 5-(1,3-dioxo-5-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)isoindolin-2-yl)isophthalate, 1,3-DIMETHYL 5-[1,3-DIOXO-5-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)-2,3-DIHYDRO-1H-ISOINDOL-2-YL]BENZENE-1,3-DICARBOXYLATE, dimethyl 5-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzene-1,3-dicarboxylate
| Molecular Formula | C26H16N2O8 |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 3.2288 |
| Topological Polar Surface Area | 133.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.09067 |
| Heavy Atoms | 36 |
| Complexity | 1636.3661 |
Chemical Identifiers
| CAS Number | 294891-21-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)C(=O)OC |
Product Overview
dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate (CAS 294891-21-7), with molecular formula C26H16N2O8 and molecular weight 484.09 g/mol. IUPAC: dimethyl 5-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate
Property Insights of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate
The XLogP value of 3.2288 indicates that dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.08 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate has 0 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 dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate?
The CAS number of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate is 294891-21-7.
What is the molecular formula of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate?
The molecular formula of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate is C26H16N2O8.
What is the molecular weight of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate?
The molecular weight of dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate is 484.09 g/mol.
Where can I buy dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate?
You can request a quote for dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.