AB00686551-01
TL;DR: AB00686551-01 (CAS 868224-16-2) is a chemical compound with molecular formula C22H19F3N2O5 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate
Also Known As: AB00686551-01, F1808-0103, ethyl 2-{[1-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2-dihydroisoquinolin-5-yl]oxy}acetate, ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate, ethyl 2-((1-oxo-2-(2-oxo-2-((4-(trifluoromethyl)phenyl)amino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate
| Molecular Formula | C22H19F3N2O5 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 3.6009 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.1246 |
| Heavy Atoms | 32 |
| Complexity | 1186.876 |
Chemical Identifiers
| CAS Number | 868224-16-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
AB00686551-01 (CAS 868224-16-2), with molecular formula C22H19F3N2O5 and molecular weight 448.12 g/mol. IUPAC: ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate.
Chemical Property Profile of AB00686551-01
Property Insights of AB00686551-01
The XLogP value of 3.6009 indicates that AB00686551-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686551-01. Following Lipinski's Rule of Five, AB00686551-01 has 1 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 AB00686551-01?
The CAS number of AB00686551-01 is 868224-16-2.
What is the molecular formula of AB00686551-01?
The molecular formula of AB00686551-01 is C22H19F3N2O5.
What is the molecular weight of AB00686551-01?
The molecular weight of AB00686551-01 is 448.12 g/mol.
Where can I buy AB00686551-01?
You can request a quote for AB00686551-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686551-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686551-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.