![3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate structure](/static/products/4043/404365-54-4.webp)
3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate
TL;DR: 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate (CAS 404365-54-4) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl] acetate
Also Known As: [3-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl] acetate, 3-((1,3-dioxoisoindolin-2-yl)carbamoyl)phenyl acetate, 3-[N-(1,3-dioxobenzo[c]azolin-2-yl)carbamoyl]phenyl acetate, 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 404365-54-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C(=O)NN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | KVADXNDHALPNRA-UHFFFAOYSA-N |
Product Overview
3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate (CAS 404365-54-4), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: [3-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl] acetate.
Chemical Property Profile of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate
Property Insights of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate. Following Lipinski's Rule of Five, 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate has 1 hydrogen bond donor(s) and 5 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 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate?
The CAS number of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate is 404365-54-4.
What is the molecular formula of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate?
The molecular formula of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate is C17H12N2O5.
What is the molecular weight of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate?
The molecular weight of 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate is 324.07 g/mol.
Where can I buy 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate?
You can request a quote for 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)carbamoyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.