![3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole structure](/static/products/3389/338987-23-8.webp)
3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
TL;DR: 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole (CAS 338987-23-8) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
Also Known As: BIM-0020636.P001, 3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole, 3-((4-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole, A0137/0006026, 3-[(4-methoxybenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.116 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 452.50818 |
Chemical Identifiers
| CAS Number | 338987-23-8 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC=C(C=C2)OC |
Product Overview
3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole (CAS 338987-23-8), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
Property Insights of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
The XLogP value of 2.116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole. With a topological polar surface area (TPSA) of 39.94 Ų, 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole has 0 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-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
The CAS number of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole is 338987-23-8.
What is the molecular formula of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
The molecular formula of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole is C11H13N3OS.
What is the molecular weight of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
The molecular weight of 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole is 235.08 g/mol.
Where can I buy 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
You can request a quote for 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-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-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.