ChemDiv1_008511
TL;DR: ChemDiv1_008511 (CAS 326888-10-2) is a chemical compound with molecular formula C30H30N6O4S and molecular weight 570.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_008511, F0859-0007, 3-{2-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[2-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C30H30N6O4S |
|---|---|
| Molecular Weight | 570.20 g/mol |
| LogP | 2.4878 |
| Topological Polar Surface Area | 111.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 570.2049 |
| Heavy Atoms | 41 |
| Complexity | 1548.5868 |
Chemical Identifiers
| CAS Number | 326888-10-2 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_008511 (CAS 326888-10-2), with molecular formula C30H30N6O4S and molecular weight 570.20 g/mol. IUPAC: 2-[2-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_008511
Property Insights of ChemDiv1_008511
The XLogP value of 2.4878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008511. The TPSA of 111.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008511. Following Lipinski's Rule of Five, ChemDiv1_008511 has 1 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_008511?
The CAS number of ChemDiv1_008511 is 326888-10-2.
What is the molecular formula of ChemDiv1_008511?
The molecular formula of ChemDiv1_008511 is C30H30N6O4S.
What is the molecular weight of ChemDiv1_008511?
The molecular weight of ChemDiv1_008511 is 570.20 g/mol.
Where can I buy ChemDiv1_008511?
You can request a quote for ChemDiv1_008511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008511?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.