ChemDiv1_005182
TL;DR: ChemDiv1_005182 (CAS 315239-20-4) 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-[[5-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
Also Known As: ChemDiv1_005182, F0844-0010, 2-{[5-({2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(morpholin-4-yl)propyl]acetamide, 2-((5-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-morpholinopropyl)acetamide, 2-[[5-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
| Molecular Formula | C30H30N6O4S |
|---|---|
| Molecular Weight | 570.20 g/mol |
| LogP | 3.1473 |
| Topological Polar Surface Area | 109.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 570.2049 |
| Heavy Atoms | 41 |
| Complexity | 1533.9117 |
Chemical Identifiers
| CAS Number | 315239-20-4 |
|---|---|
| SMILES | C1COCCN1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_005182 (CAS 315239-20-4), with molecular formula C30H30N6O4S and molecular weight 570.20 g/mol. IUPAC: 2-[[5-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.
Chemical Property Profile of ChemDiv1_005182
Property Insights of ChemDiv1_005182
The XLogP value of 3.1473 indicates that ChemDiv1_005182 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_005182. Following Lipinski's Rule of Five, ChemDiv1_005182 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_005182?
The CAS number of ChemDiv1_005182 is 315239-20-4.
What is the molecular formula of ChemDiv1_005182?
The molecular formula of ChemDiv1_005182 is C30H30N6O4S.
What is the molecular weight of ChemDiv1_005182?
The molecular weight of ChemDiv1_005182 is 570.20 g/mol.
Where can I buy ChemDiv1_005182?
You can request a quote for ChemDiv1_005182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005182?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.