![2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine structure](/static/products/899/899588-27-3.png)
2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
TL;DR: 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine (CAS 899588-27-3) is a chemical compound with molecular formula C18H18N4S and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine, 2-{4-ALLYL-5-[(4-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL}PYRIDINE, 2-{5-[(4-methylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyridine, 3-[(4-methylphenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole
| Molecular Formula | C18H18N4S |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 4.12682 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1252 |
| Heavy Atoms | 23 |
| Complexity | 778.5411 |
Chemical Identifiers
| CAS Number | 899588-27-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CC=N3 |
Product Overview
2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine (CAS 899588-27-3), with molecular formula C18H18N4S and molecular weight 322.13 g/mol. IUPAC: 2-[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Property Insights of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
The XLogP value of 4.12682 indicates that 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine 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 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine?
The CAS number of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine is 899588-27-3.
What is the molecular formula of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine is C18H18N4S.
What is the molecular weight of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine is 322.13 g/mol.
Where can I buy 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(4-Methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.