4-((2-Bromobenzyl)oxy)benzonitrile
TL;DR: 4-((2-Bromobenzyl)oxy)benzonitrile (CAS 831239-25-9) is a chemical compound with molecular formula C14H10BrNO and molecular weight 286.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromophenyl)methoxy]benzonitrile
Also Known As: 4-((2-bromobenzyl)oxy)benzonitrile, 4-Cyano-(2-bromobenzyloxy)benzene, 4-[(2-bromophenyl)methoxy]benzonitrile, BENZONITRILE,4[(2-BROMOPHENYL)METHOXY]-
| Molecular Formula | C14H10BrNO |
|---|---|
| Molecular Weight | 286.99 g/mol |
| LogP | 3.89978 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.99457 |
| Heavy Atoms | 17 |
| Complexity | 542.8938 |
Chemical Identifiers
| CAS Number | 831239-25-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=CC=C(C=C2)C#N)Br |
Product Overview
4-((2-Bromobenzyl)oxy)benzonitrile (CAS 831239-25-9), with molecular formula C14H10BrNO and molecular weight 286.99 g/mol. IUPAC: 4-[(2-bromophenyl)methoxy]benzonitrile.
Chemical Property Profile of 4-((2-Bromobenzyl)oxy)benzonitrile
Property Insights of 4-((2-Bromobenzyl)oxy)benzonitrile
The XLogP value of 3.89978 indicates that 4-((2-Bromobenzyl)oxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-((2-Bromobenzyl)oxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Bromobenzyl)oxy)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-Bromobenzyl)oxy)benzonitrile?
The CAS number of 4-((2-Bromobenzyl)oxy)benzonitrile is 831239-25-9.
What is the molecular formula of 4-((2-Bromobenzyl)oxy)benzonitrile?
The molecular formula of 4-((2-Bromobenzyl)oxy)benzonitrile is C14H10BrNO.
What is the molecular weight of 4-((2-Bromobenzyl)oxy)benzonitrile?
The molecular weight of 4-((2-Bromobenzyl)oxy)benzonitrile is 286.99 g/mol.
Where can I buy 4-((2-Bromobenzyl)oxy)benzonitrile?
You can request a quote for 4-((2-Bromobenzyl)oxy)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-Bromobenzyl)oxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Bromobenzyl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.