2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
TL;DR: 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile (CAS 861207-91-2) is a chemical compound with molecular formula C17H11Cl2NO2 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
Also Known As: 2-(2-chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)acrylonitrile, 2-(2-chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile, (E)-2-(2-chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)-2-propenenitrile
| Molecular Formula | C17H11Cl2NO2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 4.79188 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0167 |
| Heavy Atoms | 22 |
| Complexity | 791.4862 |
Chemical Identifiers
| CAS Number | 861207-91-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2Cl)Cl |
Product Overview
2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile (CAS 861207-91-2), with molecular formula C17H11Cl2NO2 and molecular weight 331.02 g/mol. IUPAC: 2-(2-chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
Property Insights of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 4.79188 indicates that 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile is 861207-91-2.
What is the molecular formula of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile is C17H11Cl2NO2.
What is the molecular weight of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile is 331.02 g/mol.
Where can I buy 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)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-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorobenzoyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.