BAS 03936154
TL;DR: BAS 03936154 (CAS 557058-86-3) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03936154, N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-ethyl-5-(4-methylphenyl)(1,2,4-triaz ol-3-ylthio)]acetamide
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.73292 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1001.1854 |
Chemical Identifiers
| CAS Number | 557058-86-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C |
Product Overview
BAS 03936154 (CAS 557058-86-3), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03936154
Property Insights of BAS 03936154
The XLogP value of 3.73292 indicates that BAS 03936154 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 BAS 03936154. Following Lipinski's Rule of Five, BAS 03936154 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03936154?
The CAS number of BAS 03936154 is 557058-86-3.
What is the molecular formula of BAS 03936154?
The molecular formula of BAS 03936154 is C20H20N4O3S.
What is the molecular weight of BAS 03936154?
The molecular weight of BAS 03936154 is 396.13 g/mol.
Where can I buy BAS 03936154?
You can request a quote for BAS 03936154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03936154?
Yes, KEHONG BIO provides custom synthesis services for BAS 03936154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.