![5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole structure](/static/products/448/448913-07-3.png)
5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole
TL;DR: 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole (CAS 448913-07-3) is a chemical compound with molecular formula C19H29N3S and molecular weight 331.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole
Also Known As: 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole, AJ-292/41083298, 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole
| Molecular Formula | C19H29N3S |
|---|---|
| Molecular Weight | 331.21 g/mol |
| LogP | 5.61684 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 331.20822 |
| Heavy Atoms | 23 |
| Complexity | 592.0507 |
Chemical Identifiers
| CAS Number | 448913-07-3 |
|---|---|
| SMILES | CCCCCCCCC1=NC(=NN1)SCC2=C(C=C(C=C2)C)C |
Product Overview
5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole (CAS 448913-07-3), with molecular formula C19H29N3S and molecular weight 331.21 g/mol. IUPAC: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-octyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole
Property Insights of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole
The XLogP value of 5.61684 indicates that 5-[(2,4-dimethylbenzyl)sulfanyl]-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-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2,4-dimethylbenzyl)sulfanyl]-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-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole?
The CAS number of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole is 448913-07-3.
What is the molecular formula of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole?
The molecular formula of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole is C19H29N3S.
What is the molecular weight of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole?
The molecular weight of 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole is 331.21 g/mol.
Where can I buy 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole?
You can request a quote for 5-[(2,4-dimethylbenzyl)sulfanyl]-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-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,4-dimethylbenzyl)sulfanyl]-3-octyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.