1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole
TL;DR: 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole (CAS 100781-53-1) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(4-methoxyphenyl)-3-methylsulfonyl-1,2,4-triazole
Also Known As: 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole, 1,5-bis(4-methoxyphenyl)-3-methylsulfonyl-1,2,4-triazole, 3H-1,2,4-Triazole-3-thione,1,2-dihydro-1,5-bis(4-methoxyphenyl)
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 2.355 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 912.73737 |
Chemical Identifiers
| CAS Number | 100781-53-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)OC)S(=O)(=O)C |
Product Overview
1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole (CAS 100781-53-1), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: 1,5-bis(4-methoxyphenyl)-3-methylsulfonyl-1,2,4-triazole.
Chemical Property Profile of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole
Property Insights of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole
The XLogP value of 2.355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-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 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole?
The CAS number of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole is 100781-53-1.
What is the molecular formula of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole?
The molecular formula of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole is C17H17N3O4S.
What is the molecular weight of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole?
The molecular weight of 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole is 359.09 g/mol.
Where can I buy 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole?
You can request a quote for 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-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 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1,5-bis(4-methoxyphenyl)-3-(methylsulfonyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.