RefChem:824091
TL;DR: RefChem:824091 (CAS 539809-12-6) is a chemical compound with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3056/0129114, N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 644-681-8, N-(2,5-Dimethylphenyl)-2-((4-phenyl-5-((4-propylphenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide, N-(2,5-Dimethylphenyl)-2-((4-phenyl-5-((4-propylphenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C28H30N4O2S |
|---|---|
| Molecular Weight | 486.21 g/mol |
| LogP | 6.14644 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.20895 |
| Heavy Atoms | 35 |
| Complexity | 1270.1243 |
Chemical Identifiers
| CAS Number | 539809-12-6 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C)C |
Product Overview
RefChem:824091 (CAS 539809-12-6), with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol. IUPAC: N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:824091
Property Insights of RefChem:824091
The XLogP value of 6.14644 indicates that RefChem:824091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:824091. Following Lipinski's Rule of Five, RefChem:824091 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:824091?
The CAS number of RefChem:824091 is 539809-12-6.
What is the molecular formula of RefChem:824091?
The molecular formula of RefChem:824091 is C28H30N4O2S.
What is the molecular weight of RefChem:824091?
The molecular weight of RefChem:824091 is 486.21 g/mol.
Where can I buy RefChem:824091?
You can request a quote for RefChem:824091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:824091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:824091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.