ChemDiv1_000534
TL;DR: ChemDiv1_000534 (CAS 326018-00-2) is a chemical compound with molecular formula C25H20Cl2N2O5 and molecular weight 498.07 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 3,5-dichlorobenzoate
Also Known As: ChemDiv1_000534, 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,5-dichlorobenzoate, 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 3,5-dichlorobenzoate, 2-(6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 3,5-dichlorobenzoate, 2-(6-morpholino-1,3-dioxo-2-aza-2,3-dihydro-1H-phenalen-2-yl)ethyl 3,5-dichlorobenzoate
| Molecular Formula | C25H20Cl2N2O5 |
|---|---|
| Molecular Weight | 498.07 g/mol |
| LogP | 4.4362 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.07492 |
| Heavy Atoms | 34 |
| Complexity | 1277.649 |
Chemical Identifiers
| CAS Number | 326018-00-2 |
|---|---|
| SMILES | C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC(=C5)Cl)Cl |
Product Overview
ChemDiv1_000534 (CAS 326018-00-2), with molecular formula C25H20Cl2N2O5 and molecular weight 498.07 g/mol. IUPAC: 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,5-dichlorobenzoate.
Chemical Property Profile of ChemDiv1_000534
Property Insights of ChemDiv1_000534
The XLogP value of 4.4362 indicates that ChemDiv1_000534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000534. Following Lipinski's Rule of Five, ChemDiv1_000534 has 0 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 ChemDiv1_000534?
The CAS number of ChemDiv1_000534 is 326018-00-2.
What is the molecular formula of ChemDiv1_000534?
The molecular formula of ChemDiv1_000534 is C25H20Cl2N2O5.
What is the molecular weight of ChemDiv1_000534?
The molecular weight of ChemDiv1_000534 is 498.07 g/mol.
Where can I buy ChemDiv1_000534?
You can request a quote for ChemDiv1_000534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000534?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.