1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate
TL;DR: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate (CAS 17801-49-9) is a chemical compound with molecular formula C10H7NO4 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl) acetate
Also Known As: N-acetoxyphthalimide, 1,3-dioxoisoindolin-2-yl acetate, N-(acetoxy)phthalimide, (1,3-dioxoisoindol-2-yl) acetate, 2-(acetyloxy)-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C10H7NO4 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0375 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 17801-49-9 |
|---|---|
| SMILES | CC(=O)ON1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | IJRNYIWWGDQEIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate (CAS 17801-49-9), with molecular formula C10H7NO4 and molecular weight 205.04 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) acetate.
Chemical Property Profile of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate
Property Insights of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate. Following Lipinski's Rule of Five, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate has 0 hydrogen bond donor(s) and 4 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 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate?
The CAS number of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate is 17801-49-9.
What is the molecular formula of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate?
The molecular formula of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate is C10H7NO4.
What is the molecular weight of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate?
The molecular weight of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate is 205.04 g/mol.
Where can I buy 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate?
You can request a quote for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.