5-Bromo-2-(2-hydroxyethoxy)-benzonitrile
TL;DR: 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile (CAS 885952-70-5) is a chemical compound with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(2-hydroxyethoxy)benzonitrile
Also Known As: 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile, 5-bromo-2-(2-hydroxyethoxy)benzonitrile, Benzonitrile, 5-bromo-2-(2-hydroxyethoxy)-
| Molecular Formula | C9H8BrNO2 |
|---|---|
| Molecular Weight | 240.97 g/mol |
| LogP | 1.69188 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.97385 |
| Heavy Atoms | 13 |
| Complexity | 332.87686 |
Chemical Identifiers
| CAS Number | 885952-70-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C#N)OCCO |
Product Overview
5-Bromo-2-(2-hydroxyethoxy)-benzonitrile (CAS 885952-70-5), with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol. IUPAC: 5-bromo-2-(2-hydroxyethoxy)benzonitrile.
Chemical Property Profile of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile
Property Insights of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile
The XLogP value of 1.69188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile. With a topological polar surface area (TPSA) of 53.25 Ų, 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile has 1 hydrogen bond donor(s) and 3 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 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile?
The CAS number of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile is 885952-70-5.
What is the molecular formula of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile?
The molecular formula of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile is C9H8BrNO2.
What is the molecular weight of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile?
The molecular weight of 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile is 240.97 g/mol.
Where can I buy 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile?
You can request a quote for 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(2-hydroxyethoxy)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.