BAS 13406156
TL;DR: BAS 13406156 (CAS 878426-86-9) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 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-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 13406156, N-(1,3-benzodioxol-5-yl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.89902 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1063.8298 |
Chemical Identifiers
| CAS Number | 878426-86-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 13406156 (CAS 878426-86-9), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 13406156
Property Insights of BAS 13406156
The XLogP value of 3.89902 indicates that BAS 13406156 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 13406156. Following Lipinski's Rule of Five, BAS 13406156 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 13406156?
The CAS number of BAS 13406156 is 878426-86-9.
What is the molecular formula of BAS 13406156?
The molecular formula of BAS 13406156 is C21H20N4O3S.
What is the molecular weight of BAS 13406156?
The molecular weight of BAS 13406156 is 408.13 g/mol.
Where can I buy BAS 13406156?
You can request a quote for BAS 13406156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13406156?
Yes, KEHONG BIO provides custom synthesis services for BAS 13406156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.