2,3-Dibromobutanenitrile
TL;DR: 2,3-Dibromobutanenitrile (CAS 25109-76-6) is a chemical compound with molecular formula C4H5Br2N and molecular weight 224.87888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dibromobutanenitrile
Also Known As: 2,3-dibromobutanenitrile, 2,3-Dibromobutyronitrile, 2,3-Dibromobutanenitrile (90%), Butanenitrile,2,3-dibromo-, 2,3-Dibromo-butanenitrile
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5Br2N |
| Molecular Weight | 224.87888 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.87682 Da |
| Heavy Atoms | 7 |
| Complexity | 93.0 |
| SMILES | CC(C(C#N)Br)Br |
| InChIKey | TWLGLYVADVLALB-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dibromobutanenitrile
Property Insights of 2,3-Dibromobutanenitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromobutanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Dibromobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromobutanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Dibromobutanenitrile?
The CAS number of 2,3-Dibromobutanenitrile is 25109-76-6.
What is the molecular formula of 2,3-Dibromobutanenitrile?
The molecular formula of 2,3-Dibromobutanenitrile is C4H5Br2N.
What is the molecular weight of 2,3-Dibromobutanenitrile?
The molecular weight of 2,3-Dibromobutanenitrile is 224.87888 g/mol.
Where can I buy 2,3-Dibromobutanenitrile?
You can request a quote for 2,3-Dibromobutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dibromobutanenitrile?
Yes, CoreyChem provides custom synthesis services for 2,3-Dibromobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.