BAS 13787198
TL;DR: BAS 13787198 (CAS 878442-46-7) is a chemical compound with molecular formula C13H12N6OS2 and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 13787198, AB01260509-02, 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))-N-(1,3,4-thiadiazol-2-yl)acetami de
| Molecular Formula | C13H12N6OS2 |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 2.0644 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.0514 |
| Heavy Atoms | 22 |
| Complexity | 756.2005 |
Chemical Identifiers
| CAS Number | 878442-46-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=NN=CS2)C3=CC=CC=C3 |
Product Overview
BAS 13787198 (CAS 878442-46-7), with molecular formula C13H12N6OS2 and molecular weight 332.05 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 13787198
Property Insights of BAS 13787198
The XLogP value of 2.0644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13787198. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13787198. Following Lipinski's Rule of Five, BAS 13787198 has 1 hydrogen bond donor(s) and 7 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 13787198?
The CAS number of BAS 13787198 is 878442-46-7.
What is the molecular formula of BAS 13787198?
The molecular formula of BAS 13787198 is C13H12N6OS2.
What is the molecular weight of BAS 13787198?
The molecular weight of BAS 13787198 is 332.05 g/mol.
Where can I buy BAS 13787198?
You can request a quote for BAS 13787198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13787198?
Yes, KEHONG BIO provides custom synthesis services for BAS 13787198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.