ChemDiv1_004592
TL;DR: ChemDiv1_004592 (CAS 325693-60-5) is a chemical compound with molecular formula C30H29N5O3S and molecular weight 539.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004592, AF-399/14183126, 2-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione, 2-(3-(5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0723-0024
| Molecular Formula | C30H29N5O3S |
|---|---|
| Molecular Weight | 539.20 g/mol |
| LogP | 4.7539 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.1991 |
| Heavy Atoms | 39 |
| Complexity | 1494.2512 |
Chemical Identifiers
| CAS Number | 325693-60-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_004592 (CAS 325693-60-5), with molecular formula C30H29N5O3S and molecular weight 539.20 g/mol. IUPAC: 2-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004592
Property Insights of ChemDiv1_004592
The XLogP value of 4.7539 indicates that ChemDiv1_004592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004592. Following Lipinski's Rule of Five, ChemDiv1_004592 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004592?
The CAS number of ChemDiv1_004592 is 325693-60-5.
What is the molecular formula of ChemDiv1_004592?
The molecular formula of ChemDiv1_004592 is C30H29N5O3S.
What is the molecular weight of ChemDiv1_004592?
The molecular weight of ChemDiv1_004592 is 539.20 g/mol.
Where can I buy ChemDiv1_004592?
You can request a quote for ChemDiv1_004592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004592?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.