Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide
TL;DR: Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide (CAS 5714-11-4) is a chemical compound with molecular formula C6H2N4O4 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxido-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazol-3-ium 3-oxide
Also Known As: benzodifuroxan, J1.155.586A, benzo(1,2-c:3,4-c')bis(1,2,5)oxadiazole 3,6-dioxide, Benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole 3,6-dioxide, 6-oxido-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazol-3-ium 3-oxide
| Molecular Formula | C6H2N4O4 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 0.0309 |
| Topological Polar Surface Area | 103.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.0076 |
| Heavy Atoms | 14 |
| Complexity | 677.814 |
Chemical Identifiers
| CAS Number | 5714-11-4 |
|---|---|
| SMILES | C1=C2C(=NON2[O-])C3=NO[N+](=O)C3=C1 |
Product Overview
Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide (CAS 5714-11-4), with molecular formula C6H2N4O4 and molecular weight 194.01 g/mol. IUPAC: 6-oxido-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazol-3-ium 3-oxide.
Chemical Property Profile of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide
Property Insights of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide
The XLogP value of 0.0309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide. The TPSA of 103.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide. Following Lipinski's Rule of Five, Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide has 0 hydrogen bond donor(s) and 6 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 Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide?
The CAS number of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide is 5714-11-4.
What is the molecular formula of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide?
The molecular formula of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide is C6H2N4O4.
What is the molecular weight of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide?
The molecular weight of Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide is 194.01 g/mol.
Where can I buy Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide?
You can request a quote for Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(1,2-C:3,4-C')bis(1,2,5)oxadiazole 3,6-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.