![3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole structure](/static/products/337/337489-00-6.png)
3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole
TL;DR: 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole (CAS 337489-00-6) is a chemical compound with molecular formula C14H19N3OS and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: BAS 01313133, 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole, 5-[(4-amoxybenzyl)thio]-1H-1,2,4-triazole, 5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole, 3-((4-(pentyloxy)benzyl)thio)-4H-1,2,4-triazole
| Molecular Formula | C14H19N3OS |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 3.666 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.12488 |
| Heavy Atoms | 19 |
| Complexity | 456.05313 |
Chemical Identifiers
| CAS Number | 337489-00-6 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)CSC2=NC=NN2 |
Product Overview
3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole (CAS 337489-00-6), with molecular formula C14H19N3OS and molecular weight 277.12 g/mol. IUPAC: 5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole
Property Insights of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole
The XLogP value of 3.666 indicates that 3-(4-Pentyloxy-benzylsulfanyl)-4H-[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 50.8 Ų, 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Pentyloxy-benzylsulfanyl)-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-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole?
The CAS number of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole is 337489-00-6.
What is the molecular formula of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole?
The molecular formula of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole is C14H19N3OS.
What is the molecular weight of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole?
The molecular weight of 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole is 277.12 g/mol.
Where can I buy 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole?
You can request a quote for 3-(4-Pentyloxy-benzylsulfanyl)-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-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Pentyloxy-benzylsulfanyl)-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.