3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine
TL;DR: 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine (CAS 694474-76-5) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine
Also Known As: 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine, 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine, AE-848/42278410
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 1.7643 |
| Topological Polar Surface Area | 90.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 858.5044 |
Chemical Identifiers
| CAS Number | 694474-76-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=N2)N)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine (CAS 694474-76-5), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine
Property Insights of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 1.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine. The TPSA of 90.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-phenyl-1-(phenylsulfonyl)-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 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine is 694474-76-5.
What is the molecular formula of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine is C14H12N4O2S.
What is the molecular weight of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine is 300.07 g/mol.
Where can I buy 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-phenyl-1-(phenylsulfonyl)-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 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.