![5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide structure](/static/products/3318/331853-25-9.webp)
5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide
TL;DR: 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide (CAS 331853-25-9) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol
Also Known As: NHRUBYOIJKSANM-UHFFFAOYSA-, BAS 00637892, 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide, 3-Oxy-5,5a,7,8-tetrahydro-4H-2-oxa-1,3,6-triaza-as-indacene-6,8a-diol, 6,8A-DIHYDROXY-4H,5H,5AH,7H,8H-[1,2,5]OXADIAZOLO[3,4-E]INDOL-3-IUM-3-OLATE
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 331853-25-9 |
|---|---|
| SMILES | C1CC2=[N+](ON=C2C3(C1N(CC3)O)O)[O-] |
| InChIKey | NHRUBYOIJKSANM-UHFFFAOYSA-N |
Product Overview
5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide (CAS 331853-25-9), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: 6-hydroxy-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol.
Chemical Property Profile of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide
Property Insights of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide
The XLogP value of -0.8 indicates that 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide. Following Lipinski's Rule of Five, 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide has 2 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 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide?
The CAS number of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide is 331853-25-9.
What is the molecular formula of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide?
The molecular formula of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide is C8H11N3O4.
What is the molecular weight of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide?
The molecular weight of 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide is 213.07 g/mol.
Where can I buy 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide?
You can request a quote for 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.