BAS 13402217
TL;DR: BAS 13402217 (CAS 878424-45-4) is a chemical compound with molecular formula C19H20N4OS2 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
Also Known As: BAS 13402217, 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide, 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
| Molecular Formula | C19H20N4OS2 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.8586 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.10785 |
| Heavy Atoms | 26 |
| Complexity | 880.25543 |
Chemical Identifiers
| CAS Number | 878424-45-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SC)CC3=CC=CC=C3 |
Product Overview
BAS 13402217 (CAS 878424-45-4), with molecular formula C19H20N4OS2 and molecular weight 384.11 g/mol. IUPAC: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.
Chemical Property Profile of BAS 13402217
Property Insights of BAS 13402217
The XLogP value of 3.8586 indicates that BAS 13402217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 13402217 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13402217 has 1 hydrogen bond donor(s) and 5 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 13402217?
The CAS number of BAS 13402217 is 878424-45-4.
What is the molecular formula of BAS 13402217?
The molecular formula of BAS 13402217 is C19H20N4OS2.
What is the molecular weight of BAS 13402217?
The molecular weight of BAS 13402217 is 384.11 g/mol.
Where can I buy BAS 13402217?
You can request a quote for BAS 13402217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13402217?
Yes, KEHONG BIO provides custom synthesis services for BAS 13402217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.