4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile
TL;DR: 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile (CAS 3695-94-1) is a chemical compound with molecular formula C15H9Cl2N and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(4-chlorophenyl)prop-2-enenitrile
Also Known As: 2,3-bis(4-chlorophenyl)prop-2-enenitrile, 2,3-Bis(p-chlorophenyl)acrylonitrile, 2,3-Bis(4-chlorophenyl)acrylonitrile, 4-Chlor-benzal-(4'-chlor-benzyl-cyanid), F 2389
| Molecular Formula | C15H9Cl2N |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0112 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 3695-94-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)Cl)Cl |
| InChIKey | YWNTXOMZGAMPDE-UHFFFAOYSA-N |
Product Overview
4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile (CAS 3695-94-1), with molecular formula C15H9Cl2N and molecular weight 273.01 g/mol. IUPAC: 2,3-bis(4-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile
Property Insights of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile
The XLogP value of 5.0 indicates that 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile has 0 hydrogen bond donor(s) and 1 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 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile?
The CAS number of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile is 3695-94-1.
What is the molecular formula of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile?
The molecular formula of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile is C15H9Cl2N.
What is the molecular weight of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile?
The molecular weight of 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile is 273.01 g/mol.
Where can I buy 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile?
You can request a quote for 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-alpha-((4-chlorophenyl)methylene)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.