RefChem:326692
TL;DR: RefChem:326692 (CAS 55300-48-6) is a chemical compound with molecular formula C29H26ClF3N4O2 and molecular weight 554.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
Also Known As: Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate, 2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate, RefChem:326692
| Molecular Formula | C29H26ClF3N4O2 |
|---|---|
| Molecular Weight | 554.17 g/mol |
| LogP | 6.6296 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.1696 |
| Heavy Atoms | 39 |
| Complexity | 1472.6392 |
Chemical Identifiers
| CAS Number | 55300-48-6 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C5=CC(=CC=C5)Cl |
Product Overview
RefChem:326692 (CAS 55300-48-6), with molecular formula C29H26ClF3N4O2 and molecular weight 554.17 g/mol. IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate.
Chemical Property Profile of RefChem:326692
Property Insights of RefChem:326692
The XLogP value of 6.6296 indicates that RefChem:326692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, RefChem:326692 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326692 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326692?
The CAS number of RefChem:326692 is 55300-48-6.
What is the molecular formula of RefChem:326692?
The molecular formula of RefChem:326692 is C29H26ClF3N4O2.
What is the molecular weight of RefChem:326692?
The molecular weight of RefChem:326692 is 554.17 g/mol.
Where can I buy RefChem:326692?
You can request a quote for RefChem:326692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326692?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.