![4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole structure](/static/products/861/861633-98-9.png)
4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
TL;DR: 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole (CAS 861633-98-9) is a chemical compound with molecular formula C24H20ClN3S and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole, 4-(4-chlorophenyl)-3-(cinnamylthio)-5-(m-tolyl)-4H-1,2,4-triazole, 3-((2E)-3-phenylprop-2-enylthio)-4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-t riazole, 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
| Molecular Formula | C24H20ClN3S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 6.70162 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.10666 |
| Heavy Atoms | 29 |
| Complexity | 1118.5931 |
Chemical Identifiers
| CAS Number | 861633-98-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SC/C=C/C4=CC=CC=C4 |
Product Overview
4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole (CAS 861633-98-9), with molecular formula C24H20ClN3S and molecular weight 417.11 g/mol. IUPAC: 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Property Insights of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
The XLogP value of 6.70162 indicates that 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-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 30.71 Ų, 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
The CAS number of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is 861633-98-9.
What is the molecular formula of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
The molecular formula of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is C24H20ClN3S.
What is the molecular weight of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
The molecular weight of 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is 417.11 g/mol.
Where can I buy 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
You can request a quote for 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-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 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.