![2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione structure](/static/products/5838/5838-65-3.webp)
2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
TL;DR: 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione (CAS 5838-65-3) is a chemical compound with molecular formula C44H22N4O10S and molecular weight 798.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
Also Known As: 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione, 2,2'-(sulfonyldibenzene-4,1-diyl)bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione], 2,2'-[sulfonylbis(4,1-phenylene)]bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione], 2,2'-[Sulfonyldi(4,1-phenylene)]bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione]
| Molecular Formula | C44H22N4O10S |
|---|---|
| Molecular Weight | 798.11 g/mol |
| LogP | 6.4574 |
| Topological Polar Surface Area | 195.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 798.10565 |
| Heavy Atoms | 59 |
| Complexity | 3209.3384 |
Chemical Identifiers
| CAS Number | 5838-65-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)N7C(=O)C8=C(C7=O)C=C(C=C8)C9=NC1=CC=CC=C1C(=O)O9 |
Product Overview
2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione (CAS 5838-65-3), with molecular formula C44H22N4O10S and molecular weight 798.11 g/mol. IUPAC: 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
Property Insights of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
The XLogP value of 6.4574 indicates that 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.1 Ų indicates high polarity, suggesting 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
The CAS number of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is 5838-65-3.
What is the molecular formula of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
The molecular formula of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is C44H22N4O10S.
What is the molecular weight of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
The molecular weight of 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione is 798.11 g/mol.
Where can I buy 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
You can request a quote for 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.