3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
TL;DR: 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole (CAS 899399-45-2) is a chemical compound with molecular formula C22H20ClN3OS and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-[(2,5-dimethylphenyl)methylthio]-5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4- triazole, 3-(3-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole, 3-(3-chlorophenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
| Molecular Formula | C22H20ClN3OS |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 6.14894 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.10156 |
| Heavy Atoms | 28 |
| Complexity | 1089.1223 |
Chemical Identifiers
| CAS Number | 899399-45-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl |
Product Overview
3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole (CAS 899399-45-2), with molecular formula C22H20ClN3OS and molecular weight 409.10 g/mol. IUPAC: 3-(3-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Property Insights of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
The XLogP value of 6.14894 indicates that 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-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-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-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-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The CAS number of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is 899399-45-2.
What is the molecular formula of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The molecular formula of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is C22H20ClN3OS.
What is the molecular weight of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The molecular weight of 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is 409.10 g/mol.
Where can I buy 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
You can request a quote for 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-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-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.