![3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole structure](/static/products/116/1164516-24-8.png)
3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole
TL;DR: 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole (CAS 1164516-24-8) is a chemical compound with molecular formula C22H18ClN3OS and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole, 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole, 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole, 3-((2E)-3-phenylprop-2-enylthio)-5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-tr iazole, 3-(3-chlorophenyl)-4-(2-furanylmethyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole
| Molecular Formula | C22H18ClN3OS |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 6.0453 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.0859 |
| Heavy Atoms | 28 |
| Complexity | 1058.6025 |
Chemical Identifiers
| CAS Number | 1164516-24-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl |
Product Overview
3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole (CAS 1164516-24-8), with molecular formula C22H18ClN3OS and molecular weight 407.09 g/mol. IUPAC: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole
Property Insights of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole
The XLogP value of 6.0453 indicates that 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[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 43.85 Ų, 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole has 0 hydrogen bond donor(s) and 4 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-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole?
The CAS number of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole is 1164516-24-8.
What is the molecular formula of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole?
The molecular formula of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole is C22H18ClN3OS.
What is the molecular weight of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole?
The molecular weight of 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole is 407.09 g/mol.
Where can I buy 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole?
You can request a quote for 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[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-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-phenyl)-4-furan-2-ylmethyl-5-((E)-3-phenyl-allylsulfanyl)-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.