4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
TL;DR: 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CAS 892697-16-4) is a chemical compound with molecular formula C12H12N6OS and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
Also Known As: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine, 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
| Molecular Formula | C12H12N6OS |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 1.7396 |
| Topological Polar Surface Area | 95.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0793 |
| Heavy Atoms | 20 |
| Complexity | 707.8232 |
Chemical Identifiers
| CAS Number | 892697-16-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3=NON=C3N |
Product Overview
4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CAS 892697-16-4), with molecular formula C12H12N6OS and molecular weight 288.08 g/mol. IUPAC: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
Chemical Property Profile of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
Property Insights of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
The XLogP value of 1.7396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine. The TPSA of 95.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine. Following Lipinski's Rule of Five, 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine 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 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The CAS number of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is 892697-16-4.
What is the molecular formula of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The molecular formula of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is C12H12N6OS.
What is the molecular weight of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The molecular weight of 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is 288.08 g/mol.
Where can I buy 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
You can request a quote for 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.