2,2,3-Tris(4-chlorophenyl)propiononitrile
TL;DR: 2,2,3-Tris(4-chlorophenyl)propiononitrile (CAS 2172-51-2) is a chemical compound with molecular formula C21H14Cl3N and molecular weight 385.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-tris(4-chlorophenyl)propanenitrile
Also Known As: 3,3,3-tris(4-chlorophenyl)propanenitrile, 2,2,3-Tris(4-chlorophenyl)propiononitrile, 3,3,3-TRIS(4-CHLOROPHENYL)PROPIONITRILE, 3,3,3-Tris(4-chlorophenyl)propionitrile, 99%, Benzenepropanenitrile,4-chloro-b,b-bis(4-chlorophenyl)-
| Molecular Formula | C21H14Cl3N |
|---|---|
| Molecular Weight | 385.02 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0192 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 2172-51-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC#N)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl |
| InChIKey | SGXWKWVVMYKJNN-UHFFFAOYSA-N |
Product Overview
2,2,3-Tris(4-chlorophenyl)propiononitrile (CAS 2172-51-2), with molecular formula C21H14Cl3N and molecular weight 385.02 g/mol. IUPAC: 3,3,3-tris(4-chlorophenyl)propanenitrile.
Chemical Property Profile of 2,2,3-Tris(4-chlorophenyl)propiononitrile
Property Insights of 2,2,3-Tris(4-chlorophenyl)propiononitrile
The XLogP value of 6.9 indicates that 2,2,3-Tris(4-chlorophenyl)propiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2,3-Tris(4-chlorophenyl)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Tris(4-chlorophenyl)propiononitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3-Tris(4-chlorophenyl)propiononitrile?
The CAS number of 2,2,3-Tris(4-chlorophenyl)propiononitrile is 2172-51-2.
What is the molecular formula of 2,2,3-Tris(4-chlorophenyl)propiononitrile?
The molecular formula of 2,2,3-Tris(4-chlorophenyl)propiononitrile is C21H14Cl3N.
What is the molecular weight of 2,2,3-Tris(4-chlorophenyl)propiononitrile?
The molecular weight of 2,2,3-Tris(4-chlorophenyl)propiononitrile is 385.02 g/mol.
Where can I buy 2,2,3-Tris(4-chlorophenyl)propiononitrile?
You can request a quote for 2,2,3-Tris(4-chlorophenyl)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-Tris(4-chlorophenyl)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-Tris(4-chlorophenyl)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.