2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile
TL;DR: 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile (CAS 1312944-30-1) is a chemical compound with molecular formula C17H12BrNO2 and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-bromobenzoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 2-(4-bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile, AF-886/30567043, (E)-2-(4-bromobenzoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C17H12BrNO2 |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 4.24758 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.00513 |
| Heavy Atoms | 21 |
| Complexity | 709.9505 |
Chemical Identifiers
| CAS Number | 1312944-30-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile (CAS 1312944-30-1), with molecular formula C17H12BrNO2 and molecular weight 341.01 g/mol. IUPAC: (E)-2-(4-bromobenzoyl)-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile
Property Insights of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile
The XLogP value of 4.24758 indicates that 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile 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-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile has 0 hydrogen bond donor(s) and 3 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-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile?
The CAS number of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile is 1312944-30-1.
What is the molecular formula of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile?
The molecular formula of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile is C17H12BrNO2.
What is the molecular weight of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile?
The molecular weight of 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile is 341.01 g/mol.
Where can I buy 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile?
You can request a quote for 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobenzoyl)-3-(4-methoxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.