BAS 13406126
TL;DR: BAS 13406126 (CAS 878426-81-4) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethoxyphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 13406126, N-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)acetamide, N-(2,4-dimethoxyphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,4-dimethoxyphenyl)-2-[5-(2-methylphenyl)-4-prop-2-enyl(1,2,4-triazol-3-yl thio)]acetamide
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 4.18752 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1048.6119 |
Chemical Identifiers
| CAS Number | 878426-81-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3)OC)OC |
Product Overview
BAS 13406126 (CAS 878426-81-4), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: N-(2,4-dimethoxyphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 13406126
Property Insights of BAS 13406126
The XLogP value of 4.18752 indicates that BAS 13406126 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 13406126. Following Lipinski's Rule of Five, BAS 13406126 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 13406126?
The CAS number of BAS 13406126 is 878426-81-4.
What is the molecular formula of BAS 13406126?
The molecular formula of BAS 13406126 is C22H24N4O3S.
What is the molecular weight of BAS 13406126?
The molecular weight of BAS 13406126 is 424.16 g/mol.
Where can I buy BAS 13406126?
You can request a quote for BAS 13406126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13406126?
Yes, KEHONG BIO provides custom synthesis services for BAS 13406126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.