2-(4-Bromophenoxy)-6-fluorobenzonitrile
TL;DR: 2-(4-Bromophenoxy)-6-fluorobenzonitrile (CAS 1267644-71-2) is a chemical compound with molecular formula C13H7BrFNO and molecular weight 290.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)-6-fluorobenzonitrile
Also Known As: 2-(4-bromophenoxy)-6-fluorobenzonitrile
| Molecular Formula | C13H7BrFNO |
|---|---|
| Molecular Weight | 290.97 g/mol |
| LogP | 4.25218 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.9695 |
| Heavy Atoms | 17 |
| Complexity | 574.9636 |
Chemical Identifiers
| CAS Number | 1267644-71-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C#N)OC2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenoxy)-6-fluorobenzonitrile (CAS 1267644-71-2), with molecular formula C13H7BrFNO and molecular weight 290.97 g/mol. IUPAC: 2-(4-bromophenoxy)-6-fluorobenzonitrile.
Chemical Property Profile of 2-(4-Bromophenoxy)-6-fluorobenzonitrile
Property Insights of 2-(4-Bromophenoxy)-6-fluorobenzonitrile
The XLogP value of 4.25218 indicates that 2-(4-Bromophenoxy)-6-fluorobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(4-Bromophenoxy)-6-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenoxy)-6-fluorobenzonitrile 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 2-(4-Bromophenoxy)-6-fluorobenzonitrile?
The CAS number of 2-(4-Bromophenoxy)-6-fluorobenzonitrile is 1267644-71-2.
What is the molecular formula of 2-(4-Bromophenoxy)-6-fluorobenzonitrile?
The molecular formula of 2-(4-Bromophenoxy)-6-fluorobenzonitrile is C13H7BrFNO.
What is the molecular weight of 2-(4-Bromophenoxy)-6-fluorobenzonitrile?
The molecular weight of 2-(4-Bromophenoxy)-6-fluorobenzonitrile is 290.97 g/mol.
Where can I buy 2-(4-Bromophenoxy)-6-fluorobenzonitrile?
You can request a quote for 2-(4-Bromophenoxy)-6-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenoxy)-6-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenoxy)-6-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.