![2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile structure](/static/products/5509/5509-80-8.webp)
2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
TL;DR: 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile (CAS 5509-80-8) is a chemical compound with molecular formula C23H15BrFNO2 and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
Also Known As: 2-benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile, 2-Benzoyl-3-{3-bromo-4-[(4-fluorophenyl)methoxy]phenyl}prop-2-enenitrile
| Molecular Formula | C23H15BrFNO2 |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 5.95708 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.027 |
| Heavy Atoms | 28 |
| Complexity | 1054.2104 |
Chemical Identifiers
| CAS Number | 5509-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)Br)C#N |
Product Overview
2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile (CAS 5509-80-8), with molecular formula C23H15BrFNO2 and molecular weight 435.03 g/mol. IUPAC: 2-benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
Property Insights of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
The XLogP value of 5.95708 indicates that 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
The CAS number of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is 5509-80-8.
What is the molecular formula of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
The molecular formula of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is C23H15BrFNO2.
What is the molecular weight of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
The molecular weight of 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is 435.03 g/mol.
Where can I buy 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
You can request a quote for 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.