3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole
TL;DR: 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 899409-63-3) is a chemical compound with molecular formula C25H23N3OS and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-3-(phenoxymethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole, 3-cinnamylsulfanyl-4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole, 4-(4-methylphenyl)-3-(phenoxymethyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole, 4-(4-methylphenyl)-3-(phenoxymethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole, {[5-((2E)-3-phenylprop-2-enylthio)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]metho xy}benzene
| Molecular Formula | C25H23N3OS |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 5.96022 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.1562 |
| Heavy Atoms | 30 |
| Complexity | 1090.469 |
Chemical Identifiers
| CAS Number | 899409-63-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SC/C=C/C3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 899409-63-3), with molecular formula C25H23N3OS and molecular weight 413.16 g/mol. IUPAC: 4-(4-methylphenyl)-3-(phenoxymethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole
Property Insights of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole
The XLogP value of 5.96022 indicates that 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-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 39.94 Ų, 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole?
The CAS number of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole is 899409-63-3.
What is the molecular formula of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole?
The molecular formula of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole is C25H23N3OS.
What is the molecular weight of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole?
The molecular weight of 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole is 413.16 g/mol.
Where can I buy 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole?
You can request a quote for 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-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-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(cinnamylthio)-5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.