A3057/0129127
TL;DR: A3057/0129127 (CAS 539808-82-7) is a chemical compound with molecular formula C34H34N4O3S and molecular weight 578.24 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-phenoxyphenyl)acetamide
Also Known As: A3057/0129127, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide, 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide, 2-((5-((4-Tert-butylphenoxy)methyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-phenoxyphenyl)acetamide, 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
| Molecular Formula | C34H34N4O3S |
|---|---|
| Molecular Weight | 578.24 g/mol |
| LogP | 7.97532 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.23517 |
| Heavy Atoms | 42 |
| Complexity | 1626.7311 |
Chemical Identifiers
| CAS Number | 539808-82-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)COC5=CC=C(C=C5)C(C)(C)C |
Product Overview
A3057/0129127 (CAS 539808-82-7), with molecular formula C34H34N4O3S and molecular weight 578.24 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of A3057/0129127
Property Insights of A3057/0129127
The XLogP value of 7.97532 indicates that A3057/0129127 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 A3057/0129127. Following Lipinski's Rule of Five, A3057/0129127 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3057/0129127?
The CAS number of A3057/0129127 is 539808-82-7.
What is the molecular formula of A3057/0129127?
The molecular formula of A3057/0129127 is C34H34N4O3S.
What is the molecular weight of A3057/0129127?
The molecular weight of A3057/0129127 is 578.24 g/mol.
Where can I buy A3057/0129127?
You can request a quote for A3057/0129127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3057/0129127?
Yes, KEHONG BIO provides custom synthesis services for A3057/0129127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.