5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole
TL;DR: 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole (CAS 799791-26-7) is a chemical compound with molecular formula C26H51N3S and molecular weight 437.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole
Also Known As: 3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole, 5-(hexadecylthio)-3-octyl-1H-1,2,4-triazole, 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole
| Molecular Formula | C26H51N3S |
|---|---|
| Molecular Weight | 437.38 g/mol |
| LogP | 9.2811 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 437.38037 |
| Heavy Atoms | 30 |
| Complexity | 460.8861 |
Chemical Identifiers
| CAS Number | 799791-26-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=NNC(=N1)CCCCCCCC |
Product Overview
5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole (CAS 799791-26-7), with molecular formula C26H51N3S and molecular weight 437.38 g/mol. IUPAC: 3-hexadecylsulfanyl-5-octyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole
Property Insights of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole
The XLogP value of 9.2811 indicates that 5-(hexadecylsulfanyl)-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-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(hexadecylsulfanyl)-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-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole?
The CAS number of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole is 799791-26-7.
What is the molecular formula of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole?
The molecular formula of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole is C26H51N3S.
What is the molecular weight of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole?
The molecular weight of 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole is 437.38 g/mol.
Where can I buy 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole?
You can request a quote for 5-(hexadecylsulfanyl)-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-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(hexadecylsulfanyl)-3-octyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.