![3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium structure](/static/products/5256/5256-29-1.webp)
3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium
TL;DR: 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium (CAS 5256-29-1) is a chemical compound with molecular formula C12H9N5O3 and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium
Also Known As: SDCCGMLS-0064768.P001, 3,6-dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium, AB00076886-01, BRD-K55066264-001-01-9, 7-phenyl-5,7-dihydro-4H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3,6-dioxide
| Molecular Formula | C12H9N5O3 |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | -0.1073 |
| Topological Polar Surface Area | 97.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.07053 |
| Heavy Atoms | 20 |
| Complexity | 793.03326 |
Chemical Identifiers
| CAS Number | 5256-29-1 |
|---|---|
| SMILES | C1CC2=[N+](ON=C2C3=NN([N+](=C31)[O-])C4=CC=CC=C4)[O-] |
Product Overview
3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium (CAS 5256-29-1), with molecular formula C12H9N5O3 and molecular weight 271.07 g/mol. IUPAC: 3,6-dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium.
Chemical Property Profile of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium
Property Insights of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium
The XLogP value of -0.1073 indicates that 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium. Following Lipinski's Rule of Five, 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium has 0 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 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium?
The CAS number of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium is 5256-29-1.
What is the molecular formula of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium?
The molecular formula of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium is C12H9N5O3.
What is the molecular weight of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium?
The molecular weight of 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium is 271.07 g/mol.
Where can I buy 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium?
You can request a quote for 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dioxido-7-phenyl-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.