1,1'-Carbonyldiimidazole
TL;DR: 1,1'-Carbonyldiimidazole (CAS 530-62-1) is a chemical compound with molecular formula C7H6N4O and molecular weight 162.05415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
di(imidazol-1-yl)methanone
Also Known As: 1,1'-Carbonyldiimidazole, N,N'-Carbonyldiimidazole, di(1H-imidazol-1-yl)methanone, Carbonyldiimidazole, N,N-Carbonyldiimidazole
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N4O |
| Molecular Weight | 162.05415 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.05415 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| Purity | ≥97.0% (GC) |
| Melting Point | 116.0 |
| SMILES | C1=CN(C=N1)C(=O)N2C=CN=C2 |
| InChIKey | PFKFTWBEEFSNDU-UHFFFAOYSA-N |
Safety Information
H302, H314
Chemical Property Profile of 1,1'-Carbonyldiimidazole
Property Insights of 1,1'-Carbonyldiimidazole
The XLogP value of -0.2 indicates that 1,1'-Carbonyldiimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.7 Ų, 1,1'-Carbonyldiimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Carbonyldiimidazole 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
What is the CAS number of 1,1'-Carbonyldiimidazole?
The CAS number of 1,1'-Carbonyldiimidazole is 530-62-1.
What is the molecular formula of 1,1'-Carbonyldiimidazole?
The molecular formula of 1,1'-Carbonyldiimidazole is C7H6N4O.
What is the molecular weight of 1,1'-Carbonyldiimidazole?
The molecular weight of 1,1'-Carbonyldiimidazole is 162.05415 g/mol.
Where can I buy 1,1'-Carbonyldiimidazole?
You can request a quote for 1,1'-Carbonyldiimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1'-Carbonyldiimidazole?
Yes, CoreyChem provides custom synthesis services for 1,1'-Carbonyldiimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Related Articles
CDI (1,1'-Carbonyldiimidazole): Complete Guide for Chemical Researchers — Properties, Applications & Where to Buy
CDI (1,1'-Carbonyldiimidazole): Complete Guide for Chemical Researchers — Properties, Applications & Where to Buy