A3057/0129126
TL;DR: A3057/0129126 (CAS 539808-80-5) is a chemical compound with molecular formula C31H36N4O2S and molecular weight 528.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: A3057/0129126, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide, 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide, 2-((5-((4-Tert-butylphenoxy)methyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-isopropyl-N-phenylacetamide, 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide
| Molecular Formula | C31H36N4O2S |
|---|---|
| Molecular Weight | 528.26 g/mol |
| LogP | 6.98592 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.2559 |
| Heavy Atoms | 38 |
| Complexity | 1358.9023 |
Chemical Identifiers
| CAS Number | 539808-80-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=C(C=C4)C(C)(C)C |
Product Overview
A3057/0129126 (CAS 539808-80-5), with molecular formula C31H36N4O2S and molecular weight 528.26 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of A3057/0129126
Property Insights of A3057/0129126
The XLogP value of 6.98592 indicates that A3057/0129126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for A3057/0129126. Following Lipinski's Rule of Five, A3057/0129126 has 0 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 A3057/0129126?
The CAS number of A3057/0129126 is 539808-80-5.
What is the molecular formula of A3057/0129126?
The molecular formula of A3057/0129126 is C31H36N4O2S.
What is the molecular weight of A3057/0129126?
The molecular weight of A3057/0129126 is 528.26 g/mol.
Where can I buy A3057/0129126?
You can request a quote for A3057/0129126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3057/0129126?
Yes, KEHONG BIO provides custom synthesis services for A3057/0129126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.