Bionet1_002787
TL;DR: Bionet1_002787 (CAS 478048-39-4) is a chemical compound with molecular formula C17H11F3N4S2 and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-1H-1,2,4-triazole-5-thione
Also Known As: Bionet1_002787, 4-methyl-5-[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole-3-thiol, 5K-041, 4-methyl-3-[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H11F3N4S2 |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 5.44019 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.03772 |
| Heavy Atoms | 26 |
| Complexity | 1156.4266 |
Chemical Identifiers
| CAS Number | 478048-39-4 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
Bionet1_002787 (CAS 478048-39-4), with molecular formula C17H11F3N4S2 and molecular weight 392.04 g/mol. IUPAC: 4-methyl-3-[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of Bionet1_002787
Property Insights of Bionet1_002787
The XLogP value of 5.44019 indicates that Bionet1_002787 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Bionet1_002787 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_002787 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_002787?
The CAS number of Bionet1_002787 is 478048-39-4.
What is the molecular formula of Bionet1_002787?
The molecular formula of Bionet1_002787 is C17H11F3N4S2.
What is the molecular weight of Bionet1_002787?
The molecular weight of Bionet1_002787 is 392.04 g/mol.
Where can I buy Bionet1_002787?
You can request a quote for Bionet1_002787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002787?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.