1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
TL;DR: 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile (CAS 94540-23-5) is a chemical compound with molecular formula C17H11ClN2O and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)-2H-quinoline-2-carbonitrile
Also Known As: Quinoline deriv., 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile, 1-(4-chlorobenzoyl)-2H-quinoline-2-carbonitrile, 1-(4-Chlorobenzoyl)-1,2-dihydroquinoline-2-carbonitrile, U-78036
| Molecular Formula | C17H11ClN2O |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.056 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 94540-23-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(N2C(=O)C3=CC=C(C=C3)Cl)C#N |
| InChIKey | LUVKPKVQLSIRFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile (CAS 94540-23-5), with molecular formula C17H11ClN2O and molecular weight 294.06 g/mol. IUPAC: 1-(4-chlorobenzoyl)-2H-quinoline-2-carbonitrile.
Chemical Property Profile of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
Property Insights of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
The XLogP value of 3.9 indicates that 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile 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 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile?
The CAS number of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile is 94540-23-5.
What is the molecular formula of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile?
The molecular formula of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile is C17H11ClN2O.
What is the molecular weight of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile?
The molecular weight of 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile is 294.06 g/mol.
Where can I buy 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile?
You can request a quote for 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.