A3057/0129128
TL;DR: A3057/0129128 (CAS 539808-84-9) is a chemical compound with molecular formula C29H32N4O2S and molecular weight 500.22 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-(4-methylphenyl)acetamide
Also Known As: A3057/0129128, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide, N-(4-METHYLPHENYL)-2-{[4-(2-METHYLPHENYL)-5-{[4-(2-METHYL-2-PROPANYL)PHENOXY]METHYL}-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, 2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
| Molecular Formula | C29H32N4O2S |
|---|---|
| Molecular Weight | 500.22 g/mol |
| LogP | 6.49144 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.2246 |
| Heavy Atoms | 36 |
| Complexity | 1322.8939 |
Chemical Identifiers
| CAS Number | 539808-84-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C)COC4=CC=C(C=C4)C(C)(C)C |
Product Overview
A3057/0129128 (CAS 539808-84-9), with molecular formula C29H32N4O2S and molecular weight 500.22 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of A3057/0129128
Property Insights of A3057/0129128
The XLogP value of 6.49144 indicates that A3057/0129128 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 A3057/0129128. Following Lipinski's Rule of Five, A3057/0129128 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 A3057/0129128?
The CAS number of A3057/0129128 is 539808-84-9.
What is the molecular formula of A3057/0129128?
The molecular formula of A3057/0129128 is C29H32N4O2S.
What is the molecular weight of A3057/0129128?
The molecular weight of A3057/0129128 is 500.22 g/mol.
Where can I buy A3057/0129128?
You can request a quote for A3057/0129128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3057/0129128?
Yes, KEHONG BIO provides custom synthesis services for A3057/0129128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.