ChemDiv1_004810
TL;DR: ChemDiv1_004810 (CAS 325476-39-9) is a chemical compound with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv1_004810, BIM-0030566.P001, AF-399/37305026, ethyl ({4-allyl-5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, ethyl 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C24H24N4O4S |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 3.5013 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.15182 |
| Heavy Atoms | 33 |
| Complexity | 1185.6774 |
Chemical Identifiers
| CAS Number | 325476-39-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1CC=C)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
ChemDiv1_004810 (CAS 325476-39-9), with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol. IUPAC: ethyl 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_004810
Property Insights of ChemDiv1_004810
The XLogP value of 3.5013 indicates that ChemDiv1_004810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004810. Following Lipinski's Rule of Five, ChemDiv1_004810 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004810?
The CAS number of ChemDiv1_004810 is 325476-39-9.
What is the molecular formula of ChemDiv1_004810?
The molecular formula of ChemDiv1_004810 is C24H24N4O4S.
What is the molecular weight of ChemDiv1_004810?
The molecular weight of ChemDiv1_004810 is 464.15 g/mol.
Where can I buy ChemDiv1_004810?
You can request a quote for ChemDiv1_004810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004810?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.