![2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine structure](/static/products/579/579441-99-9.png)
2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
TL;DR: 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine (CAS 579441-99-9) is a chemical compound with molecular formula C19H15BrN4OS and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: ML138 Analog, 2-[5-[(4-bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine, 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine, 2-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine, 2-(5-((4-bromobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C19H15BrN4OS |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.01498 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 579441-99-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br |
| InChIKey | LUJCSBDPIKBOMN-UHFFFAOYSA-N |
Product Overview
2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine (CAS 579441-99-9), with molecular formula C19H15BrN4OS and molecular weight 426.01 g/mol. IUPAC: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
Property Insights of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
The XLogP value of 3.8 indicates that 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine. Following Lipinski's Rule of Five, 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine 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 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine?
The CAS number of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine is 579441-99-9.
What is the molecular formula of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine is C19H15BrN4OS.
What is the molecular weight of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine is 426.01 g/mol.
Where can I buy 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-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-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(4-Bromophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.