RefChem:825079
TL;DR: RefChem:825079 (CAS 562088-83-9) is a chemical compound with molecular formula C17H17BrN4OS2 and molecular weight 436.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2-bromo-4-methylphenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-Bromo-4-methylphenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-BROMO-4-METHYLPHENYL)-2-{[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(2-bromo-4-methylphenyl)-2-(4-ethyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))ac etamide, 649-532-0
| Molecular Formula | C17H17BrN4OS2 |
|---|---|
| Molecular Weight | 436.00 g/mol |
| LogP | 4.82822 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.00272 |
| Heavy Atoms | 25 |
| Complexity | 876.91266 |
Chemical Identifiers
| CAS Number | 562088-83-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)Br)C3=CC=CS3 |
Product Overview
RefChem:825079 (CAS 562088-83-9), with molecular formula C17H17BrN4OS2 and molecular weight 436.00 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825079
Property Insights of RefChem:825079
The XLogP value of 4.82822 indicates that RefChem:825079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, RefChem:825079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:825079 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:825079?
The CAS number of RefChem:825079 is 562088-83-9.
What is the molecular formula of RefChem:825079?
The molecular formula of RefChem:825079 is C17H17BrN4OS2.
What is the molecular weight of RefChem:825079?
The molecular weight of RefChem:825079 is 436.00 g/mol.
Where can I buy RefChem:825079?
You can request a quote for RefChem:825079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.