![3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione structure](/static/products/5887/588711-45-9.webp)
3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 588711-45-9) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 5-[(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-thiol, 5-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-2H-1,2,4-triazole-3-thione, 5-[1-(3-methoxyphenoxy)ethyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.26829 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 706.5912 |
Chemical Identifiers
| CAS Number | 588711-45-9 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1CC2CCCO2)OC3=CC=CC(=C3)OC |
Product Overview
3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 588711-45-9), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.26829 indicates that 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 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-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione is 588711-45-9.
What is the molecular formula of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione is C16H21N3O3S.
What is the molecular weight of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione is 335.13 g/mol.
Where can I buy 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(3-methoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.