8K-445S
TL;DR: 8K-445S (CAS 339103-87-6) is a chemical compound with molecular formula C18H11F3N4O and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]oxy]benzonitrile
Also Known As: 8K-445S, 4-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}oxy)benzenecarbonitrile, 4-[[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]oxy]benzonitrile, 4-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}oxy)benzonitrile
| Molecular Formula | C18H11F3N4O |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 4.5298 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0885 |
| Heavy Atoms | 26 |
| Complexity | 978.96173 |
Chemical Identifiers
| CAS Number | 339103-87-6 |
|---|---|
| SMILES | CC1=C(N=C(N=N1)C2=CC(=CC=C2)C(F)(F)F)OC3=CC=C(C=C3)C#N |
Product Overview
8K-445S (CAS 339103-87-6), with molecular formula C18H11F3N4O and molecular weight 356.09 g/mol. IUPAC: 4-[[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]oxy]benzonitrile.
Chemical Property Profile of 8K-445S
Property Insights of 8K-445S
The XLogP value of 4.5298 indicates that 8K-445S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 8K-445S. Following Lipinski's Rule of Five, 8K-445S has 0 hydrogen bond donor(s) and 5 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 8K-445S?
The CAS number of 8K-445S is 339103-87-6.
What is the molecular formula of 8K-445S?
The molecular formula of 8K-445S is C18H11F3N4O.
What is the molecular weight of 8K-445S?
The molecular weight of 8K-445S is 356.09 g/mol.
Where can I buy 8K-445S?
You can request a quote for 8K-445S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8K-445S?
Yes, KEHONG BIO provides custom synthesis services for 8K-445S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.