Pentanenitrile, 4-bromo-
TL;DR: Pentanenitrile, 4-bromo- (CAS 14470-12-3) 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.
4-bromopentanenitrile
Also Known As: 4-bromopentanenitrile, 4-Bromovaleronitrile, Pentanenitrile, 4-bromo-, 4-bromovalero-nitrile, Valeronitrile, 4-bromo-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8BrN |
| Molecular Weight | 160.98401 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.98401 Da |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
| SMILES | CC(CCC#N)Br |
| InChIKey | HCHUIWDKAUWPJE-UHFFFAOYSA-N |
Chemical Property Profile of Pentanenitrile, 4-bromo-
Property Insights of Pentanenitrile, 4-bromo-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanenitrile, 4-bromo-. With a topological polar surface area (TPSA) of 23.8 Ų, Pentanenitrile, 4-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanenitrile, 4-bromo- 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 Pentanenitrile, 4-bromo-?
The CAS number of Pentanenitrile, 4-bromo- is 14470-12-3.
What is the molecular formula of Pentanenitrile, 4-bromo-?
The molecular formula of Pentanenitrile, 4-bromo- is C5H8BrN.
What is the molecular weight of Pentanenitrile, 4-bromo-?
The molecular weight of Pentanenitrile, 4-bromo- is 160.98401 g/mol.
Where can I buy Pentanenitrile, 4-bromo-?
You can request a quote for Pentanenitrile, 4-bromo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanenitrile, 4-bromo-?
Yes, CoreyChem provides custom synthesis services for Pentanenitrile, 4-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.