3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile
TL;DR: 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile (CAS 7468-63-5) is a chemical compound with molecular formula C6H7N3O2 and molecular weight 153.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile
Also Known As: 3-oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile, J1.419.266B, 3-(2-Oxoimidazolidine-1-yl)-3-oxopropanenitrile
| Molecular Formula | C6H7N3O2 |
|---|---|
| Molecular Weight | 153.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.05383 |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 7468-63-5 |
|---|---|
| SMILES | C1CN(C(=O)N1)C(=O)CC#N |
| InChIKey | YBJJXBIUYRJSGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile (CAS 7468-63-5), with molecular formula C6H7N3O2 and molecular weight 153.05 g/mol. IUPAC: 3-oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile.
Chemical Property Profile of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile
Property Insights of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile
The XLogP value of -1.0 indicates that 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile. Following Lipinski's Rule of Five, 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile has 1 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-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile?
The CAS number of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile is 7468-63-5.
What is the molecular formula of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile?
The molecular formula of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile is C6H7N3O2.
What is the molecular weight of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile?
The molecular weight of 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile is 153.05 g/mol.
Where can I buy 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile?
You can request a quote for 3-Oxo-3-(2-oxoimidazolidin-1-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-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(2-oxoimidazolidin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.