N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide
TL;DR: N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide (CAS 55717-75-4) is a chemical compound with molecular formula C13H11N4O+ and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3-diphenyloxatriazol-3-ium-5-amine
Also Known As: N,3-diphenyloxatriazol-3-ium-5-amine, N-(3-Phenyl-5-(1,2,3,4-oxatriazolio))phenylamide, 5-Anilino-3-phenyl-1,2,3,4-oxatriazol-3-ium, 1,2,3,4-Oxatriazolium, 3-phenyl-5-(phenylamino)-, hydroxide, inner salt, 1,3,4-Oxatriazolium, 3-phenyl-5-(phenylamino)-, hydroxide, inner salt
| Molecular Formula | C13H11N4O+ |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.09329 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 55717-75-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=N[N+](=NO2)C3=CC=CC=C3 |
| InChIKey | TVNFORIXNSSXBE-UHFFFAOYSA-N |
Product Overview
N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide (CAS 55717-75-4), with molecular formula C13H11N4O+ and molecular weight 239.09 g/mol. IUPAC: N,3-diphenyloxatriazol-3-ium-5-amine.
Chemical Property Profile of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide
Property Insights of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide
The XLogP value of 4.5 indicates that N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide has 1 hydrogen bond donor(s) and 4 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 N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide?
The CAS number of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide is 55717-75-4.
What is the molecular formula of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide?
The molecular formula of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide is C13H11N4O+.
What is the molecular weight of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide?
The molecular weight of N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide is 239.09 g/mol.
Where can I buy N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide?
You can request a quote for N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-phenyl-5-(1,2,3,4-oxatriazolio))phenylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.