RefChem:824112
TL;DR: RefChem:824112 (CAS 585563-26-4) is a chemical compound with molecular formula C18H17Br2N5OS and molecular weight 508.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dibromo-4-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2,6-dibromo-4-methylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,6-Dibromo-4-methylphenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,6-dibromo-4-methylphenyl)-2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 649-214-1, N-(2,6-dibromo-4-methyl-phenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H17Br2N5OS |
|---|---|
| Molecular Weight | 508.95 g/mol |
| LogP | 4.92422 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.95206 |
| Heavy Atoms | 27 |
| Complexity | 938.63586 |
Chemical Identifiers
| CAS Number | 585563-26-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)C)Br)C3=CN=CC=C3 |
Product Overview
RefChem:824112 (CAS 585563-26-4), with molecular formula C18H17Br2N5OS and molecular weight 508.95 g/mol. IUPAC: N-(2,6-dibromo-4-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:824112
Property Insights of RefChem:824112
The XLogP value of 4.92422 indicates that RefChem:824112 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:824112. Following Lipinski's Rule of Five, RefChem:824112 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:824112?
The CAS number of RefChem:824112 is 585563-26-4.
What is the molecular formula of RefChem:824112?
The molecular formula of RefChem:824112 is C18H17Br2N5OS.
What is the molecular weight of RefChem:824112?
The molecular weight of RefChem:824112 is 508.95 g/mol.
Where can I buy RefChem:824112?
You can request a quote for RefChem:824112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:824112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:824112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.