![7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide structure](/static/products/3025/302588-64-3.webp)
7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide
TL;DR: 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide (CAS 302588-64-3) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-7-methyl-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol
Also Known As: BAS 00318903, 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide, 6-hydroxy-7-methyl-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol, 7-Methyl-3-oxy-5,5a,7,8-tetrahydro-4H-2-oxa-1,3,6-triaza-as-indacene-6,8a-diol, 7-methyl-4,5,7,8,5a,8a-hexahydro-1,2,5-oxadiazolo[3,4-e]indol-3,6,8a-triol
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -0.7062 |
| Topological Polar Surface Area | 96.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 434.38864 |
Chemical Identifiers
| CAS Number | 302588-64-3 |
|---|---|
| SMILES | CC1CC2(C(N1O)CCC3=[N+](ON=C32)[O-])O |
Product Overview
7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide (CAS 302588-64-3), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 6-hydroxy-7-methyl-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol.
Chemical Property Profile of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide
Property Insights of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide
The XLogP value of -0.7062 indicates that 7-methyl-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 96.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-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, 7-methyl-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 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide?
The CAS number of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide is 302588-64-3.
What is the molecular formula of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide?
The molecular formula of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide is C9H13N3O4.
What is the molecular weight of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide?
The molecular weight of 7-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide is 227.09 g/mol.
Where can I buy 7-methyl-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 7-methyl-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 7-methyl-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 7-methyl-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.