ChemDiv1_000618
TL;DR: ChemDiv1_000618 (CAS 326017-91-8) is a chemical compound with molecular formula C26H22N4O8 and molecular weight 518.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate
Also Known As: ChemDiv1_000618, F0018-0469, 2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 3,5-dinitrobenzoate, 2-[2,4-dioxo-8-(piperidin-1-yl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl]ethyl 3,5-dinitrobenzoate, 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate
| Molecular Formula | C26H22N4O8 |
|---|---|
| Molecular Weight | 518.14 g/mol |
| LogP | 4.0995 |
| Topological Polar Surface Area | 153.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.14374 |
| Heavy Atoms | 38 |
| Complexity | 1458.1141 |
Chemical Identifiers
| CAS Number | 326017-91-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ChemDiv1_000618 (CAS 326017-91-8), with molecular formula C26H22N4O8 and molecular weight 518.14 g/mol. IUPAC: 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate.
Chemical Property Profile of ChemDiv1_000618
Property Insights of ChemDiv1_000618
The XLogP value of 4.0995 indicates that ChemDiv1_000618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.2 Ų indicates high polarity, suggesting ChemDiv1_000618 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_000618 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_000618?
The CAS number of ChemDiv1_000618 is 326017-91-8.
What is the molecular formula of ChemDiv1_000618?
The molecular formula of ChemDiv1_000618 is C26H22N4O8.
What is the molecular weight of ChemDiv1_000618?
The molecular weight of ChemDiv1_000618 is 518.14 g/mol.
Where can I buy ChemDiv1_000618?
You can request a quote for ChemDiv1_000618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000618?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.