Bionet1_002043
TL;DR: Bionet1_002043 (CAS 337922-71-1) is a chemical compound with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile
Also Known As: Bionet1_002043, 10K-404S, 5-acetyl-6-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile
| Molecular Formula | C17H13F3N2OS |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 4.7754 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.07007 |
| Heavy Atoms | 24 |
| Complexity | 825.561 |
Chemical Identifiers
| CAS Number | 337922-71-1 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC2=CC(=CC=C2)C(F)(F)F)C#N)C(=O)C |
Product Overview
Bionet1_002043 (CAS 337922-71-1), with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol. IUPAC: 5-acetyl-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of Bionet1_002043
Property Insights of Bionet1_002043
The XLogP value of 4.7754 indicates that Bionet1_002043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, Bionet1_002043 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_002043 has 0 hydrogen bond donor(s) and 4 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_002043?
The CAS number of Bionet1_002043 is 337922-71-1.
What is the molecular formula of Bionet1_002043?
The molecular formula of Bionet1_002043 is C17H13F3N2OS.
What is the molecular weight of Bionet1_002043?
The molecular weight of Bionet1_002043 is 350.07 g/mol.
Where can I buy Bionet1_002043?
You can request a quote for Bionet1_002043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002043?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.