2-Chloro-3-(2,4-dichlorophenyl)propanenitrile
TL;DR: 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile (CAS 59347-28-3) is a chemical compound with molecular formula C9H6Cl3N and molecular weight 232.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(2,4-dichlorophenyl)propanenitrile
Also Known As: 2-chloro-3-(2,4-dichlorophenyl)propanenitrile
| Molecular Formula | C9H6Cl3N |
|---|---|
| Molecular Weight | 232.96 g/mol |
| LogP | 3.66688 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.95659 |
| Heavy Atoms | 13 |
| Complexity | 343.2033 |
Chemical Identifiers
| CAS Number | 59347-28-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CC(C#N)Cl |
Product Overview
2-Chloro-3-(2,4-dichlorophenyl)propanenitrile (CAS 59347-28-3), with molecular formula C9H6Cl3N and molecular weight 232.96 g/mol. IUPAC: 2-chloro-3-(2,4-dichlorophenyl)propanenitrile.
Chemical Property Profile of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile
Property Insights of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile
The XLogP value of 3.66688 indicates that 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile 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 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile?
The CAS number of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile is 59347-28-3.
What is the molecular formula of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile?
The molecular formula of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile is C9H6Cl3N.
What is the molecular weight of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile?
The molecular weight of 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile is 232.96 g/mol.
Where can I buy 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile?
You can request a quote for 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(2,4-dichlorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.