RefChem:449154
TL;DR: RefChem:449154 (CAS 333331-34-3) is a chemical compound with molecular formula C18H16F3N5OS and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, BAS 02241109, 2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((4-Ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H16F3N5OS |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 4.1096 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.10275 |
| Heavy Atoms | 28 |
| Complexity | 959.355 |
Chemical Identifiers
| CAS Number | 333331-34-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CN=CC=C3 |
Product Overview
RefChem:449154 (CAS 333331-34-3), with molecular formula C18H16F3N5OS and molecular weight 407.10 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of RefChem:449154
Property Insights of RefChem:449154
The XLogP value of 4.1096 indicates that RefChem:449154 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449154. Following Lipinski's Rule of Five, RefChem:449154 has 1 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 RefChem:449154?
The CAS number of RefChem:449154 is 333331-34-3.
What is the molecular formula of RefChem:449154?
The molecular formula of RefChem:449154 is C18H16F3N5OS.
What is the molecular weight of RefChem:449154?
The molecular weight of RefChem:449154 is 407.10 g/mol.
Where can I buy RefChem:449154?
You can request a quote for RefChem:449154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449154?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.