AB00435237-03
TL;DR: AB00435237-03 (CAS 868224-24-2) is a chemical compound with molecular formula C23H22N2O7 and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: AB00435237-03, F1808-0112, ethyl 2-{[2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetate, ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate, ethyl 2-((2-(2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate
| Molecular Formula | C23H22N2O7 |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 1.9885 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.1427 |
| Heavy Atoms | 32 |
| Complexity | 1218.6808 |
Chemical Identifiers
| CAS Number | 868224-24-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00435237-03 (CAS 868224-24-2), with molecular formula C23H22N2O7 and molecular weight 438.14 g/mol. IUPAC: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
Chemical Property Profile of AB00435237-03
Property Insights of AB00435237-03
The XLogP value of 1.9885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00435237-03. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00435237-03. Following Lipinski's Rule of Five, AB00435237-03 has 1 hydrogen bond donor(s) and 7 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 AB00435237-03?
The CAS number of AB00435237-03 is 868224-24-2.
What is the molecular formula of AB00435237-03?
The molecular formula of AB00435237-03 is C23H22N2O7.
What is the molecular weight of AB00435237-03?
The molecular weight of AB00435237-03 is 438.14 g/mol.
Where can I buy AB00435237-03?
You can request a quote for AB00435237-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00435237-03?
Yes, KEHONG BIO provides custom synthesis services for AB00435237-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.