![2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile structure](/static/products/5498/5498-89-5.webp)
2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
TL;DR: 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile (CAS 5498-89-5) is a chemical compound with molecular formula C24H17BrClNO3 and molecular weight 481.01 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-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
Also Known As: 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile, 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile, 2-Benzoyl-3-{3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}prop-2-enenitrile
| Molecular Formula | C24H17BrClNO3 |
|---|---|
| Molecular Weight | 481.01 g/mol |
| LogP | 6.47998 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.00803 |
| Heavy Atoms | 30 |
| Complexity | 1119.6831 |
Chemical Identifiers
| CAS Number | 5498-89-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)Cl |
Product Overview
2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile (CAS 5498-89-5), with molecular formula C24H17BrClNO3 and molecular weight 481.01 g/mol. IUPAC: 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile.
Chemical Property Profile of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
Property Insights of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
The XLogP value of 6.47998 indicates that 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]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-chlorophenyl)methoxy]-5-methoxyphenyl]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 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile?
The CAS number of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile is 5498-89-5.
What is the molecular formula of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile?
The molecular formula of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile is C24H17BrClNO3.
What is the molecular weight of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile?
The molecular weight of 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile is 481.01 g/mol.
Where can I buy 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile?
You can request a quote for 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]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-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.