![4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione structure](/static/products/3323/332374-44-4.webp)
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 332374-44-4) is a chemical compound with molecular formula C20H23N3OS and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 01506446, 4-benzyl-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione, 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione, 4-benzyl-5-(4-propoxyphenethyl)-4H-1,2,4-triazole-3-thiol, 4-Benzyl-5-[2-(4-propoxy-phenyl)-ethyl]-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C20H23N3OS |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.56299 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.1562 |
| Heavy Atoms | 25 |
| Complexity | 837.38275 |
Chemical Identifiers
| CAS Number | 332374-44-4 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3 |
Product Overview
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 332374-44-4), with molecular formula C20H23N3OS and molecular weight 353.16 g/mol. IUPAC: 4-benzyl-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.56299 indicates that 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 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 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione is 332374-44-4.
What is the molecular formula of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione is C20H23N3OS.
What is the molecular weight of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione is 353.16 g/mol.
Where can I buy 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-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 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.