![2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile structure](/static/products/256/256332-71-5.png)
2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile
TL;DR: 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile (CAS 256332-71-5) is a chemical compound with molecular formula C12H6BrClN2 and molecular weight 291.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-3-chloroprop-2-enylidene]propanedinitrile
Also Known As: 2-[3-(4-bromophenyl)-3-chloroprop-2-enylidene]malononitrile, 2-[3-(4-bromophenyl)-3-chloroprop-2-enylidene]propanedinitrile
| Molecular Formula | C12H6BrClN2 |
|---|---|
| Molecular Weight | 291.94 g/mol |
| LogP | 4.00236 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.94028 |
| Heavy Atoms | 16 |
| Complexity | 499.43512 |
Chemical Identifiers
| CAS Number | 256332-71-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC=C(C#N)C#N)Cl)Br |
Product Overview
2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile (CAS 256332-71-5), with molecular formula C12H6BrClN2 and molecular weight 291.94 g/mol. IUPAC: 2-[3-(4-bromophenyl)-3-chloroprop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile
Property Insights of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile
The XLogP value of 4.00236 indicates that 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile 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 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile?
The CAS number of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile is 256332-71-5.
What is the molecular formula of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile?
The molecular formula of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile is C12H6BrClN2.
What is the molecular weight of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile?
The molecular weight of 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile is 291.94 g/mol.
Where can I buy 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile?
You can request a quote for 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Bromophenyl)-3-chloroprop-2-enylidene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.