![3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole structure](/static/products/896/896858-60-9.png)
3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
TL;DR: 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole (CAS 896858-60-9) is a chemical compound with molecular formula C23H20ClN3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3-chlorophenyl)-5-((3,4-dimethylbenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(3,4-dimethylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole, 3-[(3,4-dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
| Molecular Formula | C23H20ClN3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 6.49684 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.10666 |
| Heavy Atoms | 28 |
| Complexity | 1106.0479 |
Chemical Identifiers
| CAS Number | 896858-60-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C |
Product Overview
3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole (CAS 896858-60-9), with molecular formula C23H20ClN3S and molecular weight 405.11 g/mol. IUPAC: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
Property Insights of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
The XLogP value of 6.49684 indicates that 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-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, 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-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 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
The CAS number of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is 896858-60-9.
What is the molecular formula of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
The molecular formula of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is C23H20ClN3S.
What is the molecular weight of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
The molecular weight of 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is 405.11 g/mol.
Where can I buy 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
You can request a quote for 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-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-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.