2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile
TL;DR: 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile (CAS 340217-69-8) is a chemical compound with molecular formula C16H9Cl2NO and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile
Also Known As: 2-benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile, 3-(2,6-DICHLOROPHENYL)-2-(PHENYLCARBONYL)PROP-2-ENENITRILE
| Molecular Formula | C16H9Cl2NO |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 4.78328 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.00613 |
| Heavy Atoms | 20 |
| Complexity | 694.7519 |
Chemical Identifiers
| CAS Number | 340217-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=C(C=CC=C2Cl)Cl)C#N |
Product Overview
2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile (CAS 340217-69-8), with molecular formula C16H9Cl2NO and molecular weight 301.01 g/mol. IUPAC: 2-benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile
Property Insights of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile
The XLogP value of 4.78328 indicates that 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile 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-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile?
The CAS number of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile is 340217-69-8.
What is the molecular formula of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile?
The molecular formula of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile is C16H9Cl2NO.
What is the molecular weight of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile?
The molecular weight of 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile is 301.01 g/mol.
Where can I buy 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile?
You can request a quote for 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.