3-(4-Bromophenyl)propanenitrile
TL;DR: 3-(4-Bromophenyl)propanenitrile (CAS 22893-39-6) is a chemical compound with molecular formula C9H8BrN and molecular weight 208.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)propanenitrile
Also Known As: 3-(4-Bromophenyl)propionitrile, 3-(4-bromophenyl)propanenitrile, zlchem 986, 4-Bromobenzenepropanenitrile, 3- PROPIONITRILE
| Molecular Formula | C9H8BrN |
|---|---|
| Molecular Weight | 208.98 g/mol |
| LogP | 2.90528 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.98401 |
| Heavy Atoms | 11 |
| Complexity | 257.88638 |
Chemical Identifiers
| CAS Number | 22893-39-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC#N)Br |
Product Overview
3-(4-Bromophenyl)propanenitrile (CAS 22893-39-6), with molecular formula C9H8BrN and molecular weight 208.98 g/mol. IUPAC: 3-(4-bromophenyl)propanenitrile.
Chemical Property Profile of 3-(4-Bromophenyl)propanenitrile
Property Insights of 3-(4-Bromophenyl)propanenitrile
The XLogP value of 2.90528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)propanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3-(4-Bromophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)propanenitrile 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 3-(4-Bromophenyl)propanenitrile?
The CAS number of 3-(4-Bromophenyl)propanenitrile is 22893-39-6.
What is the molecular formula of 3-(4-Bromophenyl)propanenitrile?
The molecular formula of 3-(4-Bromophenyl)propanenitrile is C9H8BrN.
What is the molecular weight of 3-(4-Bromophenyl)propanenitrile?
The molecular weight of 3-(4-Bromophenyl)propanenitrile is 208.98 g/mol.
Where can I buy 3-(4-Bromophenyl)propanenitrile?
You can request a quote for 3-(4-Bromophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.