4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-
TL;DR: 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- (CAS 116850-69-2) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-methyl-5-methylsulfonyl-1,2,4-triazole
Also Known As: 3-(4-Methoxyphenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-, 3-(4-methoxyphenyl)-4-methyl-5-methylsulfonyl-1,2,4-triazole, 5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole,3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 0.8942 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 659.3419 |
Chemical Identifiers
| CAS Number | 116850-69-2 |
|---|---|
| SMILES | CN1C(=NN=C1S(=O)(=O)C)C2=CC=C(C=C2)OC |
Product Overview
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- (CAS 116850-69-2), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-methyl-5-methylsulfonyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-
Property Insights of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-
The XLogP value of 0.8942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- 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 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-?
The CAS number of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- is 116850-69-2.
What is the molecular formula of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-?
The molecular formula of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- is C11H13N3O3S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-?
The molecular weight of 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- is 267.07 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-?
You can request a quote for 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.