ChemDiv1_004830
TL;DR: ChemDiv1_004830 (CAS 325693-35-4) is a chemical compound with molecular formula C28H21N5O4S and molecular weight 523.13 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-(furan-2-ylmethyl)acetamide
Also Known As: ChemDiv1_004830, BIM-0030780.P001, 2-((5-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, F0753-0020, AF-399/14425136
| Molecular Formula | C28H21N5O4S |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 4.2182 |
| Topological Polar Surface Area | 110.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.1314 |
| Heavy Atoms | 38 |
| Complexity | 1612.9202 |
Chemical Identifiers
| CAS Number | 325693-35-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_004830 (CAS 325693-35-4), with molecular formula C28H21N5O4S and molecular weight 523.13 g/mol. IUPAC: 2-[[5-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_004830
Property Insights of ChemDiv1_004830
The XLogP value of 4.2182 indicates that ChemDiv1_004830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004830. Following Lipinski's Rule of Five, ChemDiv1_004830 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004830?
The CAS number of ChemDiv1_004830 is 325693-35-4.
What is the molecular formula of ChemDiv1_004830?
The molecular formula of ChemDiv1_004830 is C28H21N5O4S.
What is the molecular weight of ChemDiv1_004830?
The molecular weight of ChemDiv1_004830 is 523.13 g/mol.
Where can I buy ChemDiv1_004830?
You can request a quote for ChemDiv1_004830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004830?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.