ChemDiv1_000536
TL;DR: ChemDiv1_000536 (CAS 361159-16-2) is a chemical compound with molecular formula C31H35N3O7S and molecular weight 593.22 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-(dipropylsulfamoyl)benzoate
Also Known As: ChemDiv1_000536, F0018-0513, 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-(dipropylsulfamoyl)benzoate, 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 4-(dipropylsulfamoyl)benzoate, 2-(6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 4-(N,N-dipropylsulfamoyl)benzoate
| Molecular Formula | C31H35N3O7S |
|---|---|
| Molecular Weight | 593.22 g/mol |
| LogP | 3.9401 |
| Topological Polar Surface Area | 113.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 593.21954 |
| Heavy Atoms | 42 |
| Complexity | 1570.5083 |
Chemical Identifiers
| CAS Number | 361159-16-2 |
|---|---|
| SMILES | CCCN(CCC)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_000536 (CAS 361159-16-2), with molecular formula C31H35N3O7S and molecular weight 593.22 g/mol. IUPAC: 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-(dipropylsulfamoyl)benzoate.
Chemical Property Profile of ChemDiv1_000536
Property Insights of ChemDiv1_000536
The XLogP value of 3.9401 indicates that ChemDiv1_000536 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_000536. Following Lipinski's Rule of Five, ChemDiv1_000536 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_000536?
The CAS number of ChemDiv1_000536 is 361159-16-2.
What is the molecular formula of ChemDiv1_000536?
The molecular formula of ChemDiv1_000536 is C31H35N3O7S.
What is the molecular weight of ChemDiv1_000536?
The molecular weight of ChemDiv1_000536 is 593.22 g/mol.
Where can I buy ChemDiv1_000536?
You can request a quote for ChemDiv1_000536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.