ChemDiv1_001408
TL;DR: ChemDiv1_001408 (CAS 310453-47-5) is a chemical compound with molecular formula C29H31N3O7S and molecular weight 565.19 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 4-(diethylsulfamoyl)benzoate
Also Known As: ChemDiv1_001408, F0018-0512, 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-(diethylsulfamoyl)benzoate, 2-(6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 4-(N,N-diethylsulfamoyl)benzoate, 2-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-(diethylsulfamoyl)benzoate
| Molecular Formula | C29H31N3O7S |
|---|---|
| Molecular Weight | 565.19 g/mol |
| LogP | 3.1599 |
| Topological Polar Surface Area | 113.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 565.1883 |
| Heavy Atoms | 40 |
| Complexity | 1538.2385 |
Chemical Identifiers
| CAS Number | 310453-47-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O |
Product Overview
ChemDiv1_001408 (CAS 310453-47-5), with molecular formula C29H31N3O7S and molecular weight 565.19 g/mol. IUPAC: 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-(diethylsulfamoyl)benzoate.
Chemical Property Profile of ChemDiv1_001408
Property Insights of ChemDiv1_001408
The XLogP value of 3.1599 indicates that ChemDiv1_001408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001408. Following Lipinski's Rule of Five, ChemDiv1_001408 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001408?
The CAS number of ChemDiv1_001408 is 310453-47-5.
What is the molecular formula of ChemDiv1_001408?
The molecular formula of ChemDiv1_001408 is C29H31N3O7S.
What is the molecular weight of ChemDiv1_001408?
The molecular weight of ChemDiv1_001408 is 565.19 g/mol.
Where can I buy ChemDiv1_001408?
You can request a quote for ChemDiv1_001408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001408?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.