5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole
TL;DR: 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole (CAS 799824-75-2) is a chemical compound with molecular formula C20H39N3S and molecular weight 353.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-decylsulfanyl-5-octyl-1H-1,2,4-triazole
Also Known As: 3-decylsulfanyl-5-octyl-1H-1,2,4-triazole, 5-(decylthio)-3-octyl-1H-1,2,4-triazole, 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole
| Molecular Formula | C20H39N3S |
|---|---|
| Molecular Weight | 353.29 g/mol |
| LogP | 6.9405 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 353.28647 |
| Heavy Atoms | 24 |
| Complexity | 378.7158 |
Chemical Identifiers
| CAS Number | 799824-75-2 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NNC(=N1)CCCCCCCC |
Product Overview
5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole (CAS 799824-75-2), with molecular formula C20H39N3S and molecular weight 353.29 g/mol. IUPAC: 3-decylsulfanyl-5-octyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole
Property Insights of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole
The XLogP value of 6.9405 indicates that 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole?
The CAS number of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole is 799824-75-2.
What is the molecular formula of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole?
The molecular formula of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole is C20H39N3S.
What is the molecular weight of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole?
The molecular weight of 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole is 353.29 g/mol.
Where can I buy 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole?
You can request a quote for 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(decylsulfanyl)-3-octyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.