RefChem:448437
TL;DR: RefChem:448437 (CAS 538336-56-0) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: 2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide, 2-((4-(2,5-Dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide, 2-((4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-ETHOXYPHENYL)ACETAMIDE, 645-133-0
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.68064 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1237.1489 |
Chemical Identifiers
| CAS Number | 538336-56-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4 |
Product Overview
RefChem:448437 (CAS 538336-56-0), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: 2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of RefChem:448437
Property Insights of RefChem:448437
The XLogP value of 5.68064 indicates that RefChem:448437 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:448437. Following Lipinski's Rule of Five, RefChem:448437 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:448437?
The CAS number of RefChem:448437 is 538336-56-0.
What is the molecular formula of RefChem:448437?
The molecular formula of RefChem:448437 is C26H26N4O2S.
What is the molecular weight of RefChem:448437?
The molecular weight of RefChem:448437 is 458.18 g/mol.
Where can I buy RefChem:448437?
You can request a quote for RefChem:448437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448437?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.