ChemDiv1_000574
TL;DR: ChemDiv1_000574 (CAS 361159-05-9) is a chemical compound with molecular formula C26H23N3O6 and molecular weight 473.16 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 4-nitrobenzoate
Also Known As: ChemDiv1_000574, F0018-0467, 2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 4-nitrobenzoate, 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 4-nitrobenzoate, 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 4-nitrobenzoate
| Molecular Formula | C26H23N3O6 |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 4.1913 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.1587 |
| Heavy Atoms | 35 |
| Complexity | 1322.9493 |
Chemical Identifiers
| CAS Number | 361159-05-9 |
|---|---|
| SMILES | C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_000574 (CAS 361159-05-9), with molecular formula C26H23N3O6 and molecular weight 473.16 g/mol. IUPAC: 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 4-nitrobenzoate.
Chemical Property Profile of ChemDiv1_000574
Property Insights of ChemDiv1_000574
The XLogP value of 4.1913 indicates that ChemDiv1_000574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000574. Following Lipinski's Rule of Five, ChemDiv1_000574 has 0 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 ChemDiv1_000574?
The CAS number of ChemDiv1_000574 is 361159-05-9.
What is the molecular formula of ChemDiv1_000574?
The molecular formula of ChemDiv1_000574 is C26H23N3O6.
What is the molecular weight of ChemDiv1_000574?
The molecular weight of ChemDiv1_000574 is 473.16 g/mol.
Where can I buy ChemDiv1_000574?
You can request a quote for ChemDiv1_000574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000574?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.