ChemDiv1_004868
TL;DR: ChemDiv1_004868 (CAS 303033-63-8) is a chemical compound with molecular formula C23H24F3N3O2 and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
Also Known As: ChemDiv1_004868, AE-641/14043035, 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol, 7-{[4-(2-hydroxyethyl)-1-piperazinyl][4-(trifluoromethyl)phenyl]methyl}-8-quinolinol, 7-{[4-(2-hydroxyethyl)piperazin-1-yl][4-(trifluoromethyl)phenyl]methyl}quinolin-8-ol
| Molecular Formula | C23H24F3N3O2 |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 3.6585 |
| Topological Polar Surface Area | 59.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.18207 |
| Heavy Atoms | 31 |
| Complexity | 1032.4113 |
Chemical Identifiers
| CAS Number | 303033-63-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O |
Product Overview
ChemDiv1_004868 (CAS 303033-63-8), with molecular formula C23H24F3N3O2 and molecular weight 431.18 g/mol. IUPAC: 7-[[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol.
Chemical Property Profile of ChemDiv1_004868
Property Insights of ChemDiv1_004868
The XLogP value of 3.6585 indicates that ChemDiv1_004868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.83 Ų, ChemDiv1_004868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004868 has 2 hydrogen bond donor(s) and 5 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 ChemDiv1_004868?
The CAS number of ChemDiv1_004868 is 303033-63-8.
What is the molecular formula of ChemDiv1_004868?
The molecular formula of ChemDiv1_004868 is C23H24F3N3O2.
What is the molecular weight of ChemDiv1_004868?
The molecular weight of ChemDiv1_004868 is 431.18 g/mol.
Where can I buy ChemDiv1_004868?
You can request a quote for ChemDiv1_004868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004868?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.