1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
TL;DR: 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile (CAS 7510-24-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
Also Known As: 1-tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 7510-24-9 |
|---|---|
| SMILES | CC(C)(C)N1CC(C(=O)C1=O)C#N |
| InChIKey | FBPKUDAVWWVKQI-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile (CAS 7510-24-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 1-tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile.
Chemical Property Profile of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
Property Insights of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile 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 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile?
The CAS number of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile is 7510-24-9.
What is the molecular formula of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile?
The molecular formula of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile is C9H12N2O2.
What is the molecular weight of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile?
The molecular weight of 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile is 180.09 g/mol.
Where can I buy 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile?
You can request a quote for 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.