RefChem:326689
TL;DR: RefChem:326689 (CAS 55300-50-0) is a chemical compound with molecular formula C30H26F6N4O2S and molecular weight 620.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethylsulfanyl)phenyl]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-((trifluoromethyl)thio)phenyl)-1-piperazinyl)ethyl ester, 2-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)ethyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate, 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate, BRN 0601532, RefChem:326689
| Molecular Formula | C30H26F6N4O2S |
|---|---|
| Molecular Weight | 620.17 g/mol |
| LogP | 7.5881 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.1681 |
| Heavy Atoms | 43 |
| Complexity | 1589.2134 |
Chemical Identifiers
| CAS Number | 55300-50-0 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C5=CC(=CC=C5)SC(F)(F)F |
Product Overview
RefChem:326689 (CAS 55300-50-0), with molecular formula C30H26F6N4O2S and molecular weight 620.17 g/mol. IUPAC: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate.
Chemical Property Profile of RefChem:326689
Property Insights of RefChem:326689
The XLogP value of 7.5881 indicates that RefChem:326689 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:326689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326689 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326689?
The CAS number of RefChem:326689 is 55300-50-0.
What is the molecular formula of RefChem:326689?
The molecular formula of RefChem:326689 is C30H26F6N4O2S.
What is the molecular weight of RefChem:326689?
The molecular weight of RefChem:326689 is 620.17 g/mol.
Where can I buy RefChem:326689?
You can request a quote for RefChem:326689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.