ChemDiv1_004878
TL;DR: ChemDiv1_004878 (CAS 315239-07-7) is a chemical compound with molecular formula C32H34N6O4S and molecular weight 598.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
Also Known As: ChemDiv1_004878, BIM-0031643.P001, AF-399/14606065, 2-((5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-morpholinopropyl)acetamide, F0786-0002
| Molecular Formula | C32H34N6O4S |
|---|---|
| Molecular Weight | 598.24 g/mol |
| LogP | 3.5799 |
| Topological Polar Surface Area | 109.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 598.2362 |
| Heavy Atoms | 43 |
| Complexity | 1568.1624 |
Chemical Identifiers
| CAS Number | 315239-07-7 |
|---|---|
| SMILES | C1COCCN1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_004878 (CAS 315239-07-7), with molecular formula C32H34N6O4S and molecular weight 598.24 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.
Chemical Property Profile of ChemDiv1_004878
Property Insights of ChemDiv1_004878
The XLogP value of 3.5799 indicates that ChemDiv1_004878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004878. Following Lipinski's Rule of Five, ChemDiv1_004878 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_004878?
The CAS number of ChemDiv1_004878 is 315239-07-7.
What is the molecular formula of ChemDiv1_004878?
The molecular formula of ChemDiv1_004878 is C32H34N6O4S.
What is the molecular weight of ChemDiv1_004878?
The molecular weight of ChemDiv1_004878 is 598.24 g/mol.
Where can I buy ChemDiv1_004878?
You can request a quote for ChemDiv1_004878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004878?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.