![2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile structure](/static/products/4497/449737-26-2.webp)
2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile
TL;DR: 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile (CAS 449737-26-2) is a chemical compound with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-dioxoisoindol-2-yl)phenoxy]acetonitrile
Also Known As: 2-[4-(1,3-dioxoisoindol-2-yl)phenoxy]acetonitrile, 2-(4-(1,3-Dioxoisoindolin-2-yl)phenoxy)acetonitrile, 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenoxy]acetonitrile, 2-[4-(1,3-dioxobenzo[c]azolin-2-yl)phenoxy]ethanenitrile
| Molecular Formula | C16H10N2O3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.38958 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.06915 |
| Heavy Atoms | 21 |
| Complexity | 724.83673 |
Chemical Identifiers
| CAS Number | 449737-26-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC#N |
Product Overview
2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile (CAS 449737-26-2), with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol. IUPAC: 2-[4-(1,3-dioxoisoindol-2-yl)phenoxy]acetonitrile.
Chemical Property Profile of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile
Property Insights of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile
The XLogP value of 2.38958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile. Following Lipinski's Rule of Five, 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile 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 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile?
The CAS number of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile is 449737-26-2.
What is the molecular formula of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile?
The molecular formula of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile is C16H10N2O3.
What is the molecular weight of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile?
The molecular weight of 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile is 278.07 g/mol.
Where can I buy 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile?
You can request a quote for 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Dioxoisoindol-2-yl)phenoxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.