2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
TL;DR: 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine (CAS 720676-61-9) 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.
2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
Also Known As: BAS 07161940, 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine, 1-(ethylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine, 2-Ethanesulfonyl-5-phenyl-2H-[1,2,4]triazol-3-ylamine, AE-848/42592505
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 720676-61-9 |
|---|---|
| SMILES | CCS(=O)(=O)N1C(=NC(=N1)C2=CC=CC=C2)N |
| InChIKey | GEIMODJOWYTODX-UHFFFAOYSA-N |
Product Overview
2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine (CAS 720676-61-9), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 2-ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
Property Insights of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-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 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
The CAS number of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine is 720676-61-9.
What is the molecular formula of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
The molecular formula of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine is C10H12N4O2S.
What is the molecular weight of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
The molecular weight of 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine is 252.07 g/mol.
Where can I buy 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
You can request a quote for 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulfonyl-5-phenyl-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.