2-(2-Bromo-1-phenylethylidene)malononitrile
TL;DR: 2-(2-Bromo-1-phenylethylidene)malononitrile (CAS 4651-78-9) 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-(2-bromo-1-phenylethylidene)propanedinitrile
Also Known As: 2-(2-bromo-1-phenylethylidene)malononitrile, 2-(2-bromo-1-phenylethylidene)propanedinitrile, Propanedinitrile, (2-bromo-1-phenylethylidene)-, (1-Phenyl-2-bromoethylidene)malononitrile, (2-Bromo-1-phenylethylidene)malononitrile
| Molecular Formula | C11H7BrN2 |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | 2.88226 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.97926 |
| Heavy Atoms | 14 |
| Complexity | 404.84103 |
Chemical Identifiers
| CAS Number | 4651-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C(C#N)C#N)CBr |
Product Overview
2-(2-Bromo-1-phenylethylidene)malononitrile (CAS 4651-78-9), with molecular formula C11H7BrN2 and molecular weight 245.98 g/mol. IUPAC: 2-(2-bromo-1-phenylethylidene)propanedinitrile.
Chemical Property Profile of 2-(2-Bromo-1-phenylethylidene)malononitrile
Property Insights of 2-(2-Bromo-1-phenylethylidene)malononitrile
The XLogP value of 2.88226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Bromo-1-phenylethylidene)malononitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-(2-Bromo-1-phenylethylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromo-1-phenylethylidene)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-(2-Bromo-1-phenylethylidene)malononitrile?
The CAS number of 2-(2-Bromo-1-phenylethylidene)malononitrile is 4651-78-9.
What is the molecular formula of 2-(2-Bromo-1-phenylethylidene)malononitrile?
The molecular formula of 2-(2-Bromo-1-phenylethylidene)malononitrile is C11H7BrN2.
What is the molecular weight of 2-(2-Bromo-1-phenylethylidene)malononitrile?
The molecular weight of 2-(2-Bromo-1-phenylethylidene)malononitrile is 245.98 g/mol.
Where can I buy 2-(2-Bromo-1-phenylethylidene)malononitrile?
You can request a quote for 2-(2-Bromo-1-phenylethylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromo-1-phenylethylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromo-1-phenylethylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.