1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene
TL;DR: 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene (CAS 61404-69-1) is a chemical compound with molecular formula C12H9BrN2 and molecular weight 259.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-1-phenylpropylidene)propanedinitrile
Also Known As: 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene, 2-(2-bromo-1-phenylpropylidene)propanedinitrile, 2-bromo-1-phenylpropylidenemalononitrile, (2-Bromo-1-phenylpropylidene)propanedinitrile, 2-bromo-1-phenyl-propylidene-propanedinitrile
| Molecular Formula | C12H9BrN2 |
|---|---|
| Molecular Weight | 259.99 g/mol |
| LogP | 3.27076 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.9949 |
| Heavy Atoms | 15 |
| Complexity | 430.75073 |
Chemical Identifiers
| CAS Number | 61404-69-1 |
|---|---|
| SMILES | CC(C(=C(C#N)C#N)C1=CC=CC=C1)Br |
Product Overview
1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene (CAS 61404-69-1), with molecular formula C12H9BrN2 and molecular weight 259.99 g/mol. IUPAC: 2-(2-bromo-1-phenylpropylidene)propanedinitrile.
Chemical Property Profile of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene
Property Insights of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene
The XLogP value of 3.27076 indicates that 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene 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 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene?
The CAS number of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene is 61404-69-1.
What is the molecular formula of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene?
The molecular formula of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene is C12H9BrN2.
What is the molecular weight of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene?
The molecular weight of 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene is 259.99 g/mol.
Where can I buy 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene?
You can request a quote for 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dicyano-2-phenyl-2-(1-bromoethyl)ethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.