![[1-(4-Bromophenyl)ethylidene]propanedinitrile structure](/static/products/5327/5327-67-3.webp)
[1-(4-Bromophenyl)ethylidene]propanedinitrile
TL;DR: [1-(4-Bromophenyl)ethylidene]propanedinitrile (CAS 5327-67-3) is a chemical compound with molecular formula C11H7BrN2 and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-bromophenyl)ethylidene]propanedinitrile
Also Known As: [1-(4-bromophenyl)ethylidene]propanedinitrile, KST-1A5429, 2-[1-(4-bromophenyl)ethylidene]propanedinitrile, 2-[1-(4-bromophenyl)ethylidene]-malononitrile, (4-Bromo-alpha-methylbenzylidene)malononitrile
| Molecular Formula | C11H7BrN2 |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | 3.26976 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.97926 |
| Heavy Atoms | 14 |
| Complexity | 427.66125 |
Chemical Identifiers
| CAS Number | 5327-67-3 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC=C(C=C1)Br |
Product Overview
[1-(4-Bromophenyl)ethylidene]propanedinitrile (CAS 5327-67-3), with molecular formula C11H7BrN2 and molecular weight 245.98 g/mol. IUPAC: 2-[1-(4-bromophenyl)ethylidene]propanedinitrile.
Chemical Property Profile of [1-(4-Bromophenyl)ethylidene]propanedinitrile
Property Insights of [1-(4-Bromophenyl)ethylidene]propanedinitrile
The XLogP value of 3.26976 indicates that [1-(4-Bromophenyl)ethylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, [1-(4-Bromophenyl)ethylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-Bromophenyl)ethylidene]propanedinitrile has 0 hydrogen bond donor(s) and 2 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 [1-(4-Bromophenyl)ethylidene]propanedinitrile?
The CAS number of [1-(4-Bromophenyl)ethylidene]propanedinitrile is 5327-67-3.
What is the molecular formula of [1-(4-Bromophenyl)ethylidene]propanedinitrile?
The molecular formula of [1-(4-Bromophenyl)ethylidene]propanedinitrile is C11H7BrN2.
What is the molecular weight of [1-(4-Bromophenyl)ethylidene]propanedinitrile?
The molecular weight of [1-(4-Bromophenyl)ethylidene]propanedinitrile is 245.98 g/mol.
Where can I buy [1-(4-Bromophenyl)ethylidene]propanedinitrile?
You can request a quote for [1-(4-Bromophenyl)ethylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Bromophenyl)ethylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Bromophenyl)ethylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.