![4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate structure](/static/products/488/488854-71-3.png)
4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate
TL;DR: 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate (CAS 488854-71-3) is a chemical compound with molecular formula C24H13ClN2O6 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl] acetate
Also Known As: 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate, [4-chloro-2-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl] acetate, 4-chloro-2-(1,3-dioxo-5-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)isoindolin-2-yl)phenyl acetate, 4-CHLORO-2-[1,3-DIOXO-5-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)-2,3-DIHYDRO-1H-ISOINDOL-2-YL]PHENYL ACETATE
| Molecular Formula | C24H13ClN2O6 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 4.2343 |
| Topological Polar Surface Area | 106.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.0462 |
| Heavy Atoms | 33 |
| Complexity | 1558.63 |
Chemical Identifiers
| CAS Number | 488854-71-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4 |
Product Overview
4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate (CAS 488854-71-3), with molecular formula C24H13ClN2O6 and molecular weight 460.05 g/mol. IUPAC: [4-chloro-2-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl] acetate.
Chemical Property Profile of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate
Property Insights of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate
The XLogP value of 4.2343 indicates that 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate. Following Lipinski's Rule of Five, 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate 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 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate?
The CAS number of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate is 488854-71-3.
What is the molecular formula of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate?
The molecular formula of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate is C24H13ClN2O6.
What is the molecular weight of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate?
The molecular weight of 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate is 460.05 g/mol.
Where can I buy 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate?
You can request a quote for 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.