4-Bromobutyronitrile
TL;DR: 4-Bromobutyronitrile (CAS 5332-06-9) is a chemical compound with molecular formula C4H6BrN and molecular weight 146.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobutanenitrile
Also Known As: 4-Bromobutyronitrile, 4-Bromobutanenitrile, Butanenitrile, 4-bromo-, 3-Cyanopropyl bromide, 3-Bromopropyl cyanide
| Molecular Formula | C4H6BrN |
|---|---|
| Molecular Weight | 146.97 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.96835 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 5332-06-9 |
|---|---|
| SMILES | C(CC#N)CBr |
| InChIKey | CQPGDDAKTTWVDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromobutyronitrile (CAS 5332-06-9), with molecular formula C4H6BrN and molecular weight 146.97 g/mol. IUPAC: 4-bromobutanenitrile.
Chemical Property Profile of 4-Bromobutyronitrile
Property Insights of 4-Bromobutyronitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobutyronitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Bromobutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobutyronitrile 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
Frequently Asked Questions
What is the CAS number of 4-Bromobutyronitrile?
The CAS number of 4-Bromobutyronitrile is 5332-06-9.
What is the molecular formula of 4-Bromobutyronitrile?
The molecular formula of 4-Bromobutyronitrile is C4H6BrN.
What is the molecular weight of 4-Bromobutyronitrile?
The molecular weight of 4-Bromobutyronitrile is 146.97 g/mol.
Where can I buy 4-Bromobutyronitrile?
You can request a quote for 4-Bromobutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.