![2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione structure](/static/products/1244/124475-76-9.webp)
2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione
TL;DR: 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione (CAS 124475-76-9) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-dimethyl-3-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione
Also Known As: 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione, 2-[2,2-dimethyl-3-(2-phenylethynyl)aziridin-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione, 2-[2,2-dimethyl-3-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione, 2-(2,2-Dimethyl-3-(phenylethynyl)aziridin-1-yl)isoindoline-1,3-dione, 2-[2,2-Dimethyl-3-(phenylethynyl)-1-aziridinyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 124475-76-9 |
|---|---|
| SMILES | CC1(C(N1N2C(=O)C3=CC=CC=C3C2=O)C#CC4=CC=CC=C4)C |
| InChIKey | SWNZXVBVWGHHMQ-UHFFFAOYSA-N |
Product Overview
2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione (CAS 124475-76-9), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: 2-[2,2-dimethyl-3-(2-phenylethynyl)aziridin-1-yl]isoindole-1,3-dione.
Chemical Property Profile of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione
Property Insights of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.4 indicates that 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.4 Ų, 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione 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 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione is 124475-76-9.
What is the molecular formula of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione is C20H16N2O2.
What is the molecular weight of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione is 316.12 g/mol.
Where can I buy 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2,2-dimethyl-3-(2-phenylethynyl)-1-aziranyl]-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.