alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile
TL;DR: alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile (CAS 87857-39-4) is a chemical compound with molecular formula C14H9Cl3N2 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-(3,4,5-trichloroanilino)acetonitrile
Also Known As: H 84, alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile, Phenyl(3,4,5-trichloroanilino)acetonitrile, 2-phenyl-2-(3,4,5-trichloroanilino)acetonitrile, Benzeneacetonitrile, alpha-((3,4,5-trichlorophenyl)amino)-
| Molecular Formula | C14H9Cl3N2 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 5.32358 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.98312 |
| Heavy Atoms | 19 |
| Complexity | 597.3285 |
Chemical Identifiers
| CAS Number | 87857-39-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)NC2=CC(=C(C(=C2)Cl)Cl)Cl |
Product Overview
alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile (CAS 87857-39-4), with molecular formula C14H9Cl3N2 and molecular weight 309.98 g/mol. IUPAC: 2-phenyl-2-(3,4,5-trichloroanilino)acetonitrile.
Chemical Property Profile of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile
Property Insights of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile
The XLogP value of 5.32358 indicates that alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile?
The CAS number of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile is 87857-39-4.
What is the molecular formula of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile?
The molecular formula of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile is C14H9Cl3N2.
What is the molecular weight of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile?
The molecular weight of alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile is 309.98 g/mol.
Where can I buy alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile?
You can request a quote for alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-((3,4,5-Trichlorophenyl)amino)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.