ChemDiv1_000622
TL;DR: ChemDiv1_000622 (CAS 326018-02-4) is a chemical compound with molecular formula C28H28N2O8 and molecular weight 520.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,4,5-trimethoxybenzoate
Also Known As: ChemDiv1_000622, F0018-0501, 2-[8-(morpholin-4-yl)-2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl]ethyl 3,4,5-trimethoxybenzoate, 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,4,5-trimethoxybenzoate, 2-(6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C28H28N2O8 |
|---|---|
| Molecular Weight | 520.18 g/mol |
| LogP | 3.1552 |
| Topological Polar Surface Area | 103.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.1846 |
| Heavy Atoms | 38 |
| Complexity | 1366.2192 |
Chemical Identifiers
| CAS Number | 326018-02-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O |
Product Overview
ChemDiv1_000622 (CAS 326018-02-4), with molecular formula C28H28N2O8 and molecular weight 520.18 g/mol. IUPAC: 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of ChemDiv1_000622
Property Insights of ChemDiv1_000622
The XLogP value of 3.1552 indicates that ChemDiv1_000622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000622. Following Lipinski's Rule of Five, ChemDiv1_000622 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000622?
The CAS number of ChemDiv1_000622 is 326018-02-4.
What is the molecular formula of ChemDiv1_000622?
The molecular formula of ChemDiv1_000622 is C28H28N2O8.
What is the molecular weight of ChemDiv1_000622?
The molecular weight of ChemDiv1_000622 is 520.18 g/mol.
Where can I buy ChemDiv1_000622?
You can request a quote for ChemDiv1_000622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000622?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.