5-Bromopentanenitrile
TL;DR: 5-Bromopentanenitrile (CAS 5414-21-1) is a chemical compound with molecular formula C5H8BrN and molecular weight 160.98401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromopentanenitrile
Also Known As: 5-Bromovaleronitrile, 5-Bromopentanenitrile, Pentanenitrile, 5-bromo-, 4-Bromobutyl Cyanide, sNxHFLQIUZjp@
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8BrN |
| Molecular Weight | 160.98401 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.98401 Da |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
| SMILES | C(CCBr)CC#N |
| InChIKey | NWWWGAKVHCSAEU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromopentanenitrile
Property Insights of 5-Bromopentanenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromopentanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 5-Bromopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromopentanenitrile 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 5-Bromopentanenitrile?
The CAS number of 5-Bromopentanenitrile is 5414-21-1.
What is the molecular formula of 5-Bromopentanenitrile?
The molecular formula of 5-Bromopentanenitrile is C5H8BrN.
What is the molecular weight of 5-Bromopentanenitrile?
The molecular weight of 5-Bromopentanenitrile is 160.98401 g/mol.
Where can I buy 5-Bromopentanenitrile?
You can request a quote for 5-Bromopentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromopentanenitrile?
Yes, CoreyChem provides custom synthesis services for 5-Bromopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.