ChemDiv1_004746
TL;DR: ChemDiv1_004746 (CAS 361479-53-0) is a chemical compound with molecular formula C20H27N7OS and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone
Also Known As: ChemDiv1_004746, F0784-0256, 2-((5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl)thio)-1-(4-(tert-butyl)phenyl)ethanone, 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone
| Molecular Formula | C20H27N7OS |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 3.6554 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.19977 |
| Heavy Atoms | 29 |
| Complexity | 992.47266 |
Chemical Identifiers
| CAS Number | 361479-53-0 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
ChemDiv1_004746 (CAS 361479-53-0), with molecular formula C20H27N7OS and molecular weight 413.20 g/mol. IUPAC: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone.
Chemical Property Profile of ChemDiv1_004746
Property Insights of ChemDiv1_004746
The XLogP value of 3.6554 indicates that ChemDiv1_004746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004746. Following Lipinski's Rule of Five, ChemDiv1_004746 has 2 hydrogen bond donor(s) and 8 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_004746?
The CAS number of ChemDiv1_004746 is 361479-53-0.
What is the molecular formula of ChemDiv1_004746?
The molecular formula of ChemDiv1_004746 is C20H27N7OS.
What is the molecular weight of ChemDiv1_004746?
The molecular weight of ChemDiv1_004746 is 413.20 g/mol.
Where can I buy ChemDiv1_004746?
You can request a quote for ChemDiv1_004746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004746?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.