4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole
TL;DR: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole (CAS 320424-69-9) is a chemical compound with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole
Also Known As: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole, 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole
| Molecular Formula | C13H16ClN3O2S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.804 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.0652 |
| Heavy Atoms | 20 |
| Complexity | 555.24396 |
Chemical Identifiers
| CAS Number | 320424-69-9 |
|---|---|
| SMILES | COC(CC1=NN=C(N1C2=CC=C(C=C2)Cl)SC)OC |
Product Overview
4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole (CAS 320424-69-9), with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol. IUPAC: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole
Property Insights of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole
The XLogP value of 2.804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 49.17 Ų, 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-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 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole?
The CAS number of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole is 320424-69-9.
What is the molecular formula of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole?
The molecular formula of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole is C13H16ClN3O2S.
What is the molecular weight of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole?
The molecular weight of 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole is 313.07 g/mol.
Where can I buy 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole?
You can request a quote for 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-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 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.