Bionet1_000523
TL;DR: Bionet1_000523 (CAS 242797-54-2) is a chemical compound with molecular formula C16H13F3N4OS and molecular weight 366.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
Also Known As: Bionet1_000523, 3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone, 10E-349S, 3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one, 3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
| Molecular Formula | C16H13F3N4OS |
|---|---|
| Molecular Weight | 366.08 g/mol |
| LogP | 3.37349 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.0762 |
| Heavy Atoms | 25 |
| Complexity | 1032.5896 |
Chemical Identifiers
| CAS Number | 242797-54-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC=CN(C2=O)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
Bionet1_000523 (CAS 242797-54-2), with molecular formula C16H13F3N4OS and molecular weight 366.08 g/mol. IUPAC: 3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
Chemical Property Profile of Bionet1_000523
Property Insights of Bionet1_000523
The XLogP value of 3.37349 indicates that Bionet1_000523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, Bionet1_000523 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000523 has 1 hydrogen bond donor(s) and 3 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 Bionet1_000523?
The CAS number of Bionet1_000523 is 242797-54-2.
What is the molecular formula of Bionet1_000523?
The molecular formula of Bionet1_000523 is C16H13F3N4OS.
What is the molecular weight of Bionet1_000523?
The molecular weight of Bionet1_000523 is 366.08 g/mol.
Where can I buy Bionet1_000523?
You can request a quote for Bionet1_000523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000523?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.