![3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole structure](/static/products/5869/586997-96-8.webp)
3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
TL;DR: 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole (CAS 586997-96-8) is a chemical compound with molecular formula C19H20N4S and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[(2,5-dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole, 4-(4-allyl-5-((2,5-dimethylbenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 4-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine, 4-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C19H20N4S |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 4.43524 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.14087 |
| Heavy Atoms | 24 |
| Complexity | 839.82806 |
Chemical Identifiers
| CAS Number | 586997-96-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 |
Product Overview
3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole (CAS 586997-96-8), with molecular formula C19H20N4S and molecular weight 336.14 g/mol. IUPAC: 4-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
Property Insights of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
The XLogP value of 4.43524 indicates that 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-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 43.6 Ų, 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-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-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
The CAS number of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole is 586997-96-8.
What is the molecular formula of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
The molecular formula of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole is C19H20N4S.
What is the molecular weight of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
The molecular weight of 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole is 336.14 g/mol.
Where can I buy 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
You can request a quote for 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-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-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,5-Dimethylphenyl)methylthio]-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.