![3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole structure](/static/products/896/896077-11-5.png)
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole
TL;DR: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole (CAS 896077-11-5) is a chemical compound with molecular formula C24H21Cl2N3O2S and molecular weight 485.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole
Also Known As: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole, 3-((2,6-dichlorobenzyl)thio)-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole, 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole, ({5-[(2,6-dichlorophenyl)methylthio]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl}met hoxy)benzene, 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
| Molecular Formula | C24H21Cl2N3O2S |
|---|---|
| Molecular Weight | 485.07 g/mol |
| LogP | 6.8441 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.07315 |
| Heavy Atoms | 32 |
| Complexity | 1147.5952 |
Chemical Identifiers
| CAS Number | 896077-11-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)COC4=CC=CC=C4 |
Product Overview
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole (CAS 896077-11-5), with molecular formula C24H21Cl2N3O2S and molecular weight 485.07 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole
Property Insights of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole
The XLogP value of 6.8441 indicates that 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-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 49.17 Ų, 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole?
The CAS number of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole is 896077-11-5.
What is the molecular formula of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole?
The molecular formula of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole is C24H21Cl2N3O2S.
What is the molecular weight of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole?
The molecular weight of 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole is 485.07 g/mol.
Where can I buy 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole?
You can request a quote for 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-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-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.