3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile
TL;DR: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile (CAS 3589-45-5) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxoisoindol-2-yl)propanenitrile
Also Known As: N-(2-Cyanoethyl)phthalimide, 3-(1,3-dioxoisoindolin-2-yl)propanenitrile, OMEPRAZOLE SODIUM, 3-(1,3-dioxoisoindol-2-yl)propanenitrile, 3-Phthalimidylpropanenitrile
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 3589-45-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#N |
| InChIKey | LOOWMCWVRNEZLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile (CAS 3589-45-5), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: 3-(1,3-dioxoisoindol-2-yl)propanenitrile.
Chemical Property Profile of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile
Property Insights of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-2,3-dihydro-1H-isoindol-2-yl)propanenitrile?
The CAS number of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile is 3589-45-5.
What is the molecular formula of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile?
The molecular formula of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile is C11H8N2O2.
What is the molecular weight of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile?
The molecular weight of 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile is 200.06 g/mol.
Where can I buy 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile?
You can request a quote for 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile 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-2,3-dihydro-1H-isoindol-2-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.