2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile
TL;DR: 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile (CAS 94360-07-3) 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-[1-(4-bromophenyl)-3-oxo-3-phenylpropyl]propanedinitrile
Also Known As: 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile, J1.554.878I, 2-[1-(4-bromophenyl)-3-oxo-3-phenylpropyl]propanedinitrile, 2-[1-(4-Bromophenyl)-3-oxo-3-phenylpropyl]malononitrile, 2-[1-(4-bromophenyl)-3-oxo-3-phenyl-propyl]propanedinitrile
| 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 | 94360-07-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Br)C(C#N)C#N |
Product Overview
2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile (CAS 94360-07-3), with molecular formula C18H13BrN2O and molecular weight 352.02 g/mol. IUPAC: 2-[1-(4-bromophenyl)-3-oxo-3-phenylpropyl]propanedinitrile.
Chemical Property Profile of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile
Property Insights of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile
The XLogP value of 4.46906 indicates that 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile 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 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile. Following Lipinski's Rule of Five, 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile 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-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile?
The CAS number of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile is 94360-07-3.
What is the molecular formula of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile?
The molecular formula of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile is C18H13BrN2O.
What is the molecular weight of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile?
The molecular weight of 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile is 352.02 g/mol.
Where can I buy 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile?
You can request a quote for 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-Bromophenyl)-3-oxo-3-phenylpropyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.