AB00686548-01
TL;DR: AB00686548-01 (CAS 6288-90-0) is a chemical compound with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: AB00686548-01, F1808-0095, ethyl 2-[(2-{[(2-ethoxyphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate, Ethyl ({2-[2-(2-ethoxyanilino)-2-oxoethyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)acetate, Ethyl 2-[2-[(2-ethoxyphenyl)carbamoylmethyl]-1-oxo-isoquinolin-5-yl]oxyacetate
| Molecular Formula | C23H24N2O6 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 2.9808 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.16342 |
| Heavy Atoms | 31 |
| Complexity | 1138.36 |
Chemical Identifiers
| CAS Number | 6288-90-0 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OCC |
Product Overview
AB00686548-01 (CAS 6288-90-0), with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol. IUPAC: ethyl 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
Chemical Property Profile of AB00686548-01
Property Insights of AB00686548-01
The XLogP value of 2.9808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686548-01. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686548-01. Following Lipinski's Rule of Five, AB00686548-01 has 1 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 AB00686548-01?
The CAS number of AB00686548-01 is 6288-90-0.
What is the molecular formula of AB00686548-01?
The molecular formula of AB00686548-01 is C23H24N2O6.
What is the molecular weight of AB00686548-01?
The molecular weight of AB00686548-01 is 424.16 g/mol.
Where can I buy AB00686548-01?
You can request a quote for AB00686548-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686548-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686548-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.