2-Bromo-2-cyanoacetamide
TL;DR: 2-Bromo-2-cyanoacetamide (CAS 111574-82-4) is a chemical compound with molecular formula C3H3BrN2O and molecular weight 161.94289 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-2-cyanoacetamide
Also Known As: 2-bromo-2-cyanoacetamide, Bromocyanoacetamide, Acetamide,2-bromo-2-cyano-, Cyanbromacetamide, Acetamide, 2-bromo-2-cyano-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3BrN2O |
| Molecular Weight | 161.94289 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.94289 Da |
| Heavy Atoms | 7 |
| Complexity | 124.0 |
| SMILES | C(#N)C(C(=O)N)Br |
| InChIKey | ABBGMXMPOCXVNL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-2-cyanoacetamide
Property Insights of 2-Bromo-2-cyanoacetamide
The XLogP value of -0.1 indicates that 2-Bromo-2-cyanoacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-2-cyanoacetamide. Following Lipinski's Rule of Five, 2-Bromo-2-cyanoacetamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Bromo-2-cyanoacetamide?
The CAS number of 2-Bromo-2-cyanoacetamide is 111574-82-4.
What is the molecular formula of 2-Bromo-2-cyanoacetamide?
The molecular formula of 2-Bromo-2-cyanoacetamide is C3H3BrN2O.
What is the molecular weight of 2-Bromo-2-cyanoacetamide?
The molecular weight of 2-Bromo-2-cyanoacetamide is 161.94289 g/mol.
Where can I buy 2-Bromo-2-cyanoacetamide?
You can request a quote for 2-Bromo-2-cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-2-cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.