2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 667409-99-6) is a chemical compound with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dioxo-2-propylisoindol-5-yl)-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate, [2-(1,3-dioxo-2-propylisoindol-5-yl)-4-oxo-3,1-benzoxazin-6-yl] acetate, 2-(1,3-dioxo-2-propylisoindolin-5-yl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
| Molecular Formula | C21H16N2O6 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.7863 |
| Topological Polar Surface Area | 106.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.10083 |
| Heavy Atoms | 29 |
| Complexity | 1243.6401 |
Chemical Identifiers
| CAS Number | 667409-99-6 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(C=C(C=C4)OC(=O)C)C(=O)O3 |
Product Overview
2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 667409-99-6), with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol. IUPAC: [2-(1,3-dioxo-2-propylisoindol-5-yl)-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 2.7863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. The TPSA of 106.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl 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 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 667409-99-6.
What is the molecular formula of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C21H16N2O6.
What is the molecular weight of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 392.10 g/mol.
Where can I buy 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-2-propyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.