![[3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile structure](/static/products/943/94360-06-2.png)
[3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
TL;DR: [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile (CAS 94360-06-2) is a chemical compound with molecular formula C18H13BrN2O and molecular weight 352.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
Also Known As: [3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile, 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile, Propanedinitrile, [3-(4-bromophenyl)-3-oxo-1-phenylpropyl]-, 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]malononitrile, [3-(4-bromophenyl)-3-oxo-1-phenylpropyl]methane-1,1-dicarbonitrile
| Molecular Formula | C18H13BrN2O |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | 4.46906 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.02112 |
| Heavy Atoms | 22 |
| Complexity | 712.4227 |
Chemical Identifiers
| CAS Number | 94360-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)C(C#N)C#N |
Product Overview
[3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile (CAS 94360-06-2), with molecular formula C18H13BrN2O and molecular weight 352.02 g/mol. IUPAC: 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile.
Chemical Property Profile of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
Property Insights of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
The XLogP value of 4.46906 indicates that [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile. Following Lipinski's Rule of Five, [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile 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 [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile?
The CAS number of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile is 94360-06-2.
What is the molecular formula of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile?
The molecular formula of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile is C18H13BrN2O.
What is the molecular weight of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile?
The molecular weight of [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile is 352.02 g/mol.
Where can I buy [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile?
You can request a quote for [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.