AB00686532-01
TL;DR: AB00686532-01 (CAS 868223-76-1) is a chemical compound with molecular formula C25H27N3O5 and molecular weight 449.20 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-phenylpiperazin-1-yl)ethyl]isoquinolin-5-yl]oxyacetate
Also Known As: AB00686532-01, F1808-0066, Ethyl 2-[1-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-5-yl]oxyacetate, ethyl 2-({1-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-dihydroisoquinolin-5-yl}oxy)acetate, ethyl 2-((1-oxo-2-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate
| Molecular Formula | C25H27N3O5 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 2.2922 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.19507 |
| Heavy Atoms | 33 |
| Complexity | 1183.6167 |
Chemical Identifiers
| CAS Number | 868223-76-1 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
AB00686532-01 (CAS 868223-76-1), with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol. IUPAC: ethyl 2-[1-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinolin-5-yl]oxyacetate.
Chemical Property Profile of AB00686532-01
Property Insights of AB00686532-01
The XLogP value of 2.2922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686532-01. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686532-01. Following Lipinski's Rule of Five, AB00686532-01 has 0 hydrogen bond donor(s) and 6 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 AB00686532-01?
The CAS number of AB00686532-01 is 868223-76-1.
What is the molecular formula of AB00686532-01?
The molecular formula of AB00686532-01 is C25H27N3O5.
What is the molecular weight of AB00686532-01?
The molecular weight of AB00686532-01 is 449.20 g/mol.
Where can I buy AB00686532-01?
You can request a quote for AB00686532-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686532-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686532-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.