F1806-0098
TL;DR: F1806-0098 (CAS 868221-91-4) is a chemical compound with molecular formula C16H13F3N6OS2 and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(pyrimidin-2-ylsulfanylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F1806-0098, 2-((5-((pyrimidin-2-ylthio)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-({5-[(pyrimidin-2-ylsulfanyl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[5-(pyrimidin-2-ylsulfanylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, {5-[(2-pyrimidinylthio)methyl]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C16H13F3N6OS2 |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 2.9458 |
| Topological Polar Surface Area | 99.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.05444 |
| Heavy Atoms | 28 |
| Complexity | 964.5135 |
Chemical Identifiers
| CAS Number | 868221-91-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3)C(F)(F)F |
Product Overview
F1806-0098 (CAS 868221-91-4), with molecular formula C16H13F3N6OS2 and molecular weight 426.05 g/mol. IUPAC: 2-[[5-(pyrimidin-2-ylsulfanylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F1806-0098
Property Insights of F1806-0098
The XLogP value of 2.9458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1806-0098. The TPSA of 99.58 Ų falls within the moderate polarity range, balancing permeability and solubility for F1806-0098. Following Lipinski's Rule of Five, F1806-0098 has 1 hydrogen bond donor(s) and 7 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 F1806-0098?
The CAS number of F1806-0098 is 868221-91-4.
What is the molecular formula of F1806-0098?
The molecular formula of F1806-0098 is C16H13F3N6OS2.
What is the molecular weight of F1806-0098?
The molecular weight of F1806-0098 is 426.05 g/mol.
Where can I buy F1806-0098?
You can request a quote for F1806-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0098?
Yes, KEHONG BIO provides custom synthesis services for F1806-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.