ChemDiv1_016826
TL;DR: ChemDiv1_016826 (CAS 325995-39-9) is a chemical compound with molecular formula C16H19N7OS and molecular weight 357.14 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-phenylethanone
Also Known As: ChemDiv1_016826, 2-((5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl)thio)-1-phenylethanone, F0820-0100, 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-phenylethanone, 2-[5,7-bis(ethylamino)(1,2,4-triazolo[4,5-a]1,3,5-triazin-3-ylthio)]-1-phenyle than-1-one
| Molecular Formula | C16H19N7OS |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 2.3579 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.13718 |
| Heavy Atoms | 25 |
| Complexity | 865.55066 |
Chemical Identifiers
| CAS Number | 325995-39-9 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_016826 (CAS 325995-39-9), with molecular formula C16H19N7OS and molecular weight 357.14 g/mol. IUPAC: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of ChemDiv1_016826
Property Insights of ChemDiv1_016826
The XLogP value of 2.3579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_016826. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016826. Following Lipinski's Rule of Five, ChemDiv1_016826 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_016826?
The CAS number of ChemDiv1_016826 is 325995-39-9.
What is the molecular formula of ChemDiv1_016826?
The molecular formula of ChemDiv1_016826 is C16H19N7OS.
What is the molecular weight of ChemDiv1_016826?
The molecular weight of ChemDiv1_016826 is 357.14 g/mol.
Where can I buy ChemDiv1_016826?
You can request a quote for ChemDiv1_016826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016826?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.