1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
TL;DR: 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole (CAS 700853-38-9) is a chemical compound with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
Also Known As: BAS 07161934, AE-848/42592499, BRD-K41494257-001-09-2, 1-ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole, 1-(ethylsulfonyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H-1,2,4-triazole
| Molecular Formula | C12H15N3O3S2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 1.8734 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.05548 |
| Heavy Atoms | 20 |
| Complexity | 693.2377 |
Chemical Identifiers
| CAS Number | 700853-38-9 |
|---|---|
| SMILES | CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SC |
Product Overview
1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole (CAS 700853-38-9), with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol. IUPAC: 1-ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
Property Insights of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
The XLogP value of 1.8734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole. Following Lipinski's Rule of Five, 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 6 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 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole?
The CAS number of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole is 700853-38-9.
What is the molecular formula of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole?
The molecular formula of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole is C12H15N3O3S2.
What is the molecular weight of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole?
The molecular weight of 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole is 313.06 g/mol.
Where can I buy 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole?
You can request a quote for 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-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 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylsulfonyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.