![3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile structure](/static/products/5333/5333-29-9.webp)
3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile
TL;DR: 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile (CAS 5333-29-9) is a chemical compound with molecular formula C22H14BrFN2O3 and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile
Also Known As: 3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C22H14BrFN2O3 |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 6.13958 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.01718 |
| Heavy Atoms | 29 |
| Complexity | 1138.8965 |
Chemical Identifiers
| CAS Number | 5333-29-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)Br)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile (CAS 5333-29-9), with molecular formula C22H14BrFN2O3 and molecular weight 452.02 g/mol. IUPAC: 3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile
Property Insights of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 6.13958 indicates that 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile is 5333-29-9.
What is the molecular formula of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile is C22H14BrFN2O3.
What is the molecular weight of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile is 452.02 g/mol.
Where can I buy 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)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 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-Bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.