EINECS 288-259-8
TL;DR: EINECS 288-259-8 (CAS 85702-69-8) is a chemical compound with molecular formula C30H26F6N4O2 and molecular weight 588.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate
Also Known As: EINECS 288-259-8, 2-(4-(alpha,alpha,alpha-Trifluoro-p-tolyl)-1-piperazinyl)ethyl o-((7-(trifluoromethyl)-4-quinolyl)amino)benzoate, 2-[4-(alpha,alpha,alpha-Trifluoro-p-tolyl)-1-piperazinyl]ethyl o-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate, 2-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate, 2-[[7-(Trifluoromethyl)quinolin-4-yl]amino]benzoic acid 2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl ester
| Molecular Formula | C30H26F6N4O2 |
|---|---|
| Molecular Weight | 588.20 g/mol |
| LogP | 6.995 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 588.196 |
| Heavy Atoms | 42 |
| Complexity | 1548.4698 |
Chemical Identifiers
| CAS Number | 85702-69-8 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F |
Product Overview
EINECS 288-259-8 (CAS 85702-69-8), with molecular formula C30H26F6N4O2 and molecular weight 588.20 g/mol. IUPAC: 2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate.
Chemical Property Profile of EINECS 288-259-8
Property Insights of EINECS 288-259-8
The XLogP value of 6.995 indicates that EINECS 288-259-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, EINECS 288-259-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 288-259-8 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 EINECS 288-259-8?
The CAS number of EINECS 288-259-8 is 85702-69-8.
What is the molecular formula of EINECS 288-259-8?
The molecular formula of EINECS 288-259-8 is C30H26F6N4O2.
What is the molecular weight of EINECS 288-259-8?
The molecular weight of EINECS 288-259-8 is 588.20 g/mol.
Where can I buy EINECS 288-259-8?
You can request a quote for EINECS 288-259-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-259-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-259-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.