![3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole structure](/static/products/6777/677735-57-8.webp)
3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole
TL;DR: 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole (CAS 677735-57-8) is a chemical compound with molecular formula C19H15ClN4OS and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[(3-chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole, 4-(5-((3-chlorobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine, 4-{5-[(3-chlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-{[(3-chlorophenyl)methyl]sulfanyl}-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C19H15ClN4OS |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 4.9271 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.06552 |
| Heavy Atoms | 26 |
| Complexity | 985.9689 |
Chemical Identifiers
| CAS Number | 677735-57-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4 |
Product Overview
3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole (CAS 677735-57-8), with molecular formula C19H15ClN4OS and molecular weight 382.07 g/mol. IUPAC: 4-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole
Property Insights of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole
The XLogP value of 4.9271 indicates that 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-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 56.74 Ų, 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole?
The CAS number of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole is 677735-57-8.
What is the molecular formula of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole?
The molecular formula of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole is C19H15ClN4OS.
What is the molecular weight of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole?
The molecular weight of 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole is 382.07 g/mol.
Where can I buy 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole?
You can request a quote for 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-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-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.