AB00686534-01
TL;DR: AB00686534-01 (CAS 868223-82-9) is a chemical compound with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: AB00686534-01, F1808-0072, ethyl 2-[(2-{[(naphthalen-1-yl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate, ethyl 2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate, ethyl 2-((2-(2-(naphthalen-1-ylamino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate
| Molecular Formula | C25H22N2O5 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 3.7353 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.15286 |
| Heavy Atoms | 32 |
| Complexity | 1354.3092 |
Chemical Identifiers
| CAS Number | 868223-82-9 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=CC4=CC=CC=C43 |
Product Overview
AB00686534-01 (CAS 868223-82-9), with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol. IUPAC: ethyl 2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
Chemical Property Profile of AB00686534-01
Property Insights of AB00686534-01
The XLogP value of 3.7353 indicates that AB00686534-01 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 AB00686534-01. Following Lipinski's Rule of Five, AB00686534-01 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 AB00686534-01?
The CAS number of AB00686534-01 is 868223-82-9.
What is the molecular formula of AB00686534-01?
The molecular formula of AB00686534-01 is C25H22N2O5.
What is the molecular weight of AB00686534-01?
The molecular weight of AB00686534-01 is 430.15 g/mol.
Where can I buy AB00686534-01?
You can request a quote for AB00686534-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686534-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686534-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.