alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile
TL;DR: alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile (CAS 20412-95-7) is a chemical compound with molecular formula C20H19ClN2O and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobenzoyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
Also Known As: alpha-(p-chlorobenzoyl)-4-diethylaminocinnamonitrile, 2-(4-chlorobenzoyl)-3-[4-(diethylamino)phenyl]acrylonitrile, 2-(4-chlorobenzoyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
| Molecular Formula | C20H19ClN2O |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 4.97608 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1186 |
| Heavy Atoms | 24 |
| Complexity | 766.7813 |
Chemical Identifiers
| CAS Number | 20412-95-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile (CAS 20412-95-7), with molecular formula C20H19ClN2O and molecular weight 338.12 g/mol. IUPAC: 2-(4-chlorobenzoyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile
Property Insights of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile
The XLogP value of 4.97608 indicates that alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile 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 alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile?
The CAS number of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile is 20412-95-7.
What is the molecular formula of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile?
The molecular formula of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile is C20H19ClN2O.
What is the molecular weight of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile?
The molecular weight of alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile is 338.12 g/mol.
Where can I buy alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile?
You can request a quote for alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(p-Chlorobenzoyl)-4-diethylaminocinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.