RefChem:825896
TL;DR: RefChem:825896 (CAS 587010-29-5) is a chemical compound with molecular formula C18H14F6N6OS and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,5-Bis(trifluoromethyl)phenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 643-898-5, N-(3,5-Bis(trifluoromethyl)phenyl)-2-((4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-5-pyrazin-2-yl(1,2,4-triazol-3-y lthio))acetamide
| Molecular Formula | C18H14F6N6OS |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 4.5234 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.0854 |
| Heavy Atoms | 32 |
| Complexity | 1067.325 |
Chemical Identifiers
| CAS Number | 587010-29-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=CN=C3 |
Product Overview
RefChem:825896 (CAS 587010-29-5), with molecular formula C18H14F6N6OS and molecular weight 476.09 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825896
Property Insights of RefChem:825896
The XLogP value of 4.5234 indicates that RefChem:825896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825896. Following Lipinski's Rule of Five, RefChem:825896 has 1 hydrogen bond donor(s) and 6 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:825896?
The CAS number of RefChem:825896 is 587010-29-5.
What is the molecular formula of RefChem:825896?
The molecular formula of RefChem:825896 is C18H14F6N6OS.
What is the molecular weight of RefChem:825896?
The molecular weight of RefChem:825896 is 476.09 g/mol.
Where can I buy RefChem:825896?
You can request a quote for RefChem:825896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.