A3057/0129137
TL;DR: A3057/0129137 (CAS 539809-00-2) is a chemical compound with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3057/0129137, N-(2,4-dimethylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 644-683-9, N-(2,4-DIMETHYLPHENYL)-2-((4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE, N-(2,4-Dimethylphenyl)-2-((4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C27H28N4O2S |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 5.81078 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.1933 |
| Heavy Atoms | 34 |
| Complexity | 1301.4904 |
Chemical Identifiers
| CAS Number | 539809-00-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)C)C)COC4=CC=CC=C4)C |
Product Overview
A3057/0129137 (CAS 539809-00-2), with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol. IUPAC: N-(2,4-dimethylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A3057/0129137
Property Insights of A3057/0129137
The XLogP value of 5.81078 indicates that A3057/0129137 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 A3057/0129137. Following Lipinski's Rule of Five, A3057/0129137 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 A3057/0129137?
The CAS number of A3057/0129137 is 539809-00-2.
What is the molecular formula of A3057/0129137?
The molecular formula of A3057/0129137 is C27H28N4O2S.
What is the molecular weight of A3057/0129137?
The molecular weight of A3057/0129137 is 472.19 g/mol.
Where can I buy A3057/0129137?
You can request a quote for A3057/0129137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3057/0129137?
Yes, KEHONG BIO provides custom synthesis services for A3057/0129137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.