![3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole structure](/static/products/672/672894-19-8.png)
3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole
TL;DR: 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole (CAS 672894-19-8) is a chemical compound with molecular formula C16H23N3OS and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 3-ethyl-5-((4-(isopentyloxy)benzyl)thio)-4H-1,2,4-triazole, 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]sulfanyl}-1H-1,2,4-triazole, 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole, 5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C16H23N3OS |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 305.1562 |
| Heavy Atoms | 21 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 672894-19-8 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCCC(C)C |
| InChIKey | URKPDGAHDBHJHF-UHFFFAOYSA-N |
Product Overview
3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole (CAS 672894-19-8), with molecular formula C16H23N3OS and molecular weight 305.16 g/mol. IUPAC: 5-ethyl-3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole
Property Insights of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole
The XLogP value of 4.8 indicates that 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole has 1 hydrogen bond donor(s) and 4 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 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
The CAS number of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is 672894-19-8.
What is the molecular formula of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
The molecular formula of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is C16H23N3OS.
What is the molecular weight of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
The molecular weight of 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole is 305.16 g/mol.
Where can I buy 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
You can request a quote for 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-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 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-5-{[4-(3-methylbutoxy)benzyl]thio}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.