3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
TL;DR: 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one (CAS 878567-08-9) is a chemical compound with molecular formula C14H19N3O2S and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
Also Known As: 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one, 3-(2-ethoxyethylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one, 5-[(2-Ethoxyethyl)sulfanyl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C14H19N3O2S |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 1.9427 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.1198 |
| Heavy Atoms | 20 |
| Complexity | 565.29803 |
Chemical Identifiers
| CAS Number | 878567-08-9 |
|---|---|
| SMILES | CCOCCSC1=NNC(=O)N1CCC2=CC=CC=C2 |
Product Overview
3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one (CAS 878567-08-9), with molecular formula C14H19N3O2S and molecular weight 293.12 g/mol. IUPAC: 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
Property Insights of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
The XLogP value of 1.9427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 59.91 Ų, 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one has 1 hydrogen bond donor(s) and 4 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 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one?
The CAS number of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one is 878567-08-9.
What is the molecular formula of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one?
The molecular formula of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one is C14H19N3O2S.
What is the molecular weight of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one?
The molecular weight of 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one is 293.12 g/mol.
Where can I buy 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one?
You can request a quote for 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-ethoxyethylsulfanyl)-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.