RefChem:825058
TL;DR: RefChem:825058 (CAS 578699-95-3) is a chemical compound with molecular formula C16H13BrF2N6OS and molecular weight 454.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-{[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(2-bromo-4,6-difluorophenyl)-2-{[4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 643-869-7, N-(2-bromo-4,6-difluoro-phenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H13BrF2N6OS |
|---|---|
| Molecular Weight | 454.00 g/mol |
| LogP | 3.5265 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.0023 |
| Heavy Atoms | 27 |
| Complexity | 945.7944 |
Chemical Identifiers
| CAS Number | 578699-95-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)C3=NC=CN=C3 |
Product Overview
RefChem:825058 (CAS 578699-95-3), with molecular formula C16H13BrF2N6OS and molecular weight 454.00 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825058
Property Insights of RefChem:825058
The XLogP value of 3.5265 indicates that RefChem:825058 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:825058. Following Lipinski's Rule of Five, RefChem:825058 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:825058?
The CAS number of RefChem:825058 is 578699-95-3.
What is the molecular formula of RefChem:825058?
The molecular formula of RefChem:825058 is C16H13BrF2N6OS.
What is the molecular weight of RefChem:825058?
The molecular weight of RefChem:825058 is 454.00 g/mol.
Where can I buy RefChem:825058?
You can request a quote for RefChem:825058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.