Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate
TL;DR: Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate (CAS 3589-47-7) is a chemical compound with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: (N,N-phthaloyl-glycyloxy)-acetonitrile, cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 0.34938 |
| Topological Polar Surface Area | 87.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 538.6853 |
Chemical Identifiers
| CAS Number | 3589-47-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC#N |
Product Overview
Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate (CAS 3589-47-7), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate
Property Insights of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate
The XLogP value of 0.34938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate. The TPSA of 87.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate. Following Lipinski's Rule of Five, Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate has 0 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 Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The CAS number of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate is 3589-47-7.
What is the molecular formula of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The molecular formula of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate is C12H8N2O4.
What is the molecular weight of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The molecular weight of Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate is 244.05 g/mol.
Where can I buy Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
You can request a quote for Cyanomethyl 2-(1,3-dioxoisoindol-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 Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 2-(1,3-dioxoisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.