A3056/0129080
TL;DR: A3056/0129080 (CAS 539810-37-2) is a chemical compound with molecular formula C26H26N4O3S2 and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3056/0129080, N-(2,5-dimethoxyphenyl)-2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,5-Dimethoxyphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 644-667-1, N-(2,5-Dimethoxyphenyl)-2-((5-(((4-methylphenyl)sulfanyl)methyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
| Molecular Formula | C26H26N4O3S2 |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | 5.61602 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.14462 |
| Heavy Atoms | 35 |
| Complexity | 1277.7639 |
Chemical Identifiers
| CAS Number | 539810-37-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)OC)OC |
Product Overview
A3056/0129080 (CAS 539810-37-2), with molecular formula C26H26N4O3S2 and molecular weight 506.14 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A3056/0129080
Property Insights of A3056/0129080
The XLogP value of 5.61602 indicates that A3056/0129080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3056/0129080. Following Lipinski's Rule of Five, A3056/0129080 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3056/0129080?
The CAS number of A3056/0129080 is 539810-37-2.
What is the molecular formula of A3056/0129080?
The molecular formula of A3056/0129080 is C26H26N4O3S2.
What is the molecular weight of A3056/0129080?
The molecular weight of A3056/0129080 is 506.14 g/mol.
Where can I buy A3056/0129080?
You can request a quote for A3056/0129080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3056/0129080?
Yes, KEHONG BIO provides custom synthesis services for A3056/0129080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.