4-(2-Bromoethoxy)benzonitrile
TL;DR: 4-(2-Bromoethoxy)benzonitrile (CAS 37142-39-5) is a chemical compound with molecular formula C9H8BrNO and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethoxy)benzonitrile
Also Known As: 4-(2-Bromoethoxy)benzonitrile, Benzonitrile,4-(2-bromoethoxy)-, 4- BENZONITRILE, p-bis(2-chloroethoxy)benzene, 4-(2-bromethoxy)-benzonitrile
| Molecular Formula | C9H8BrNO |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 2.33198 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.97893 |
| Heavy Atoms | 12 |
| Complexity | 275.57516 |
Chemical Identifiers
| CAS Number | 37142-39-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCCBr |
Product Overview
4-(2-Bromoethoxy)benzonitrile (CAS 37142-39-5), with molecular formula C9H8BrNO and molecular weight 224.98 g/mol. IUPAC: 4-(2-bromoethoxy)benzonitrile.
Chemical Property Profile of 4-(2-Bromoethoxy)benzonitrile
Property Insights of 4-(2-Bromoethoxy)benzonitrile
The XLogP value of 2.33198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromoethoxy)benzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 4-(2-Bromoethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromoethoxy)benzonitrile has 0 hydrogen bond donor(s) and 2 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-(2-Bromoethoxy)benzonitrile?
The CAS number of 4-(2-Bromoethoxy)benzonitrile is 37142-39-5.
What is the molecular formula of 4-(2-Bromoethoxy)benzonitrile?
The molecular formula of 4-(2-Bromoethoxy)benzonitrile is C9H8BrNO.
What is the molecular weight of 4-(2-Bromoethoxy)benzonitrile?
The molecular weight of 4-(2-Bromoethoxy)benzonitrile is 224.98 g/mol.
Where can I buy 4-(2-Bromoethoxy)benzonitrile?
You can request a quote for 4-(2-Bromoethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromoethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.