1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
TL;DR: 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine (CAS 720672-14-0) is a chemical compound with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
Also Known As: 2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine, 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine, BAS 06344273, AE-848/42278409, 2-Methanesulfonyl-5-phenyl-2H-[1,2,4]triazol-3-ylamine
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 0.335 |
| Topological Polar Surface Area | 90.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 603.69415 |
Chemical Identifiers
| CAS Number | 720672-14-0 |
|---|---|
| SMILES | CS(=O)(=O)N1C(=NC(=N1)C2=CC=CC=C2)N |
Product Overview
1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine (CAS 720672-14-0), with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol. IUPAC: 2-methylsulfonyl-5-phenyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
Property Insights of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
The XLogP value of 0.335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine. The TPSA of 90.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine 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 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The CAS number of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine is 720672-14-0.
What is the molecular formula of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine is C9H10N4O2S.
What is the molecular weight of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine is 238.05 g/mol.
Where can I buy 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.