Bionet1_001086
TL;DR: Bionet1_001086 (CAS 338794-80-2) is a chemical compound with molecular formula C12H12ClF3N4OS and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
Also Known As: Bionet1_001086, [1-(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-amino}ethyl)-2-sulfanyl-1H-imidazol-5-yl]methanol, (1-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-mercapto-1H-imidazol-5-yl)methanol, 6H-913, 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
| Molecular Formula | C12H12ClF3N4OS |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 3.21729 |
| Topological Polar Surface Area | 65.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.03723 |
| Heavy Atoms | 22 |
| Complexity | 713.12744 |
Chemical Identifiers
| CAS Number | 338794-80-2 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)NCCN2C(=CNC2=S)CO)C(F)(F)F |
Product Overview
Bionet1_001086 (CAS 338794-80-2), with molecular formula C12H12ClF3N4OS and molecular weight 352.04 g/mol. IUPAC: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(hydroxymethyl)-1H-imidazole-2-thione.
Chemical Property Profile of Bionet1_001086
Property Insights of Bionet1_001086
The XLogP value of 3.21729 indicates that Bionet1_001086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001086. Following Lipinski's Rule of Five, Bionet1_001086 has 3 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_001086?
The CAS number of Bionet1_001086 is 338794-80-2.
What is the molecular formula of Bionet1_001086?
The molecular formula of Bionet1_001086 is C12H12ClF3N4OS.
What is the molecular weight of Bionet1_001086?
The molecular weight of Bionet1_001086 is 352.04 g/mol.
Where can I buy Bionet1_001086?
You can request a quote for Bionet1_001086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001086?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.