AB00680046-01
TL;DR: AB00680046-01 (CAS 898416-80-3) is a chemical compound with molecular formula C25H24N2O4 and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyran-4-one
Also Known As: AB00680046-01, F2617-0220, 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethoxy]-2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H-pyran-4-one, 2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2-(indolin-1-yl)-2-oxoethoxy)-4H-pyran-4-one, 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyran-4-one
| Molecular Formula | C25H24N2O4 |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 3.1662 |
| Topological Polar Surface Area | 62.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1736 |
| Heavy Atoms | 31 |
| Complexity | 1169.9336 |
Chemical Identifiers
| CAS Number | 898416-80-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
AB00680046-01 (CAS 898416-80-3), with molecular formula C25H24N2O4 and molecular weight 416.17 g/mol. IUPAC: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyran-4-one.
Chemical Property Profile of AB00680046-01
Property Insights of AB00680046-01
The XLogP value of 3.1662 indicates that AB00680046-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680046-01. Following Lipinski's Rule of Five, AB00680046-01 has 0 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 AB00680046-01?
The CAS number of AB00680046-01 is 898416-80-3.
What is the molecular formula of AB00680046-01?
The molecular formula of AB00680046-01 is C25H24N2O4.
What is the molecular weight of AB00680046-01?
The molecular weight of AB00680046-01 is 416.17 g/mol.
Where can I buy AB00680046-01?
You can request a quote for AB00680046-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680046-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680046-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.