3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine
TL;DR: 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine (CAS 694458-12-3) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-2-methylsulfonyl-1,2,4-triazol-3-amine
Also Known As: BAS 06344308, 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine, AE-848/42278431, 5-(4-methylphenyl)-2-methylsulfonyl-1,2,4-triazol-3-amine, BRD-K40010879-001-07-9
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.64342 |
| Topological Polar Surface Area | 90.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 643.44543 |
Chemical Identifiers
| CAS Number | 694458-12-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=N2)N)S(=O)(=O)C |
Product Overview
3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine (CAS 694458-12-3), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 5-(4-methylphenyl)-2-methylsulfonyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine
Property Insights of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine
The XLogP value of 0.64342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine. The TPSA of 90.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine has 1 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 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine?
The CAS number of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine is 694458-12-3.
What is the molecular formula of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine?
The molecular formula of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine is C10H12N4O2S.
What is the molecular weight of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine?
The molecular weight of 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine is 252.07 g/mol.
Where can I buy 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine?
You can request a quote for 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazol-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.