![8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) structure](/static/products/1643/164355-82-2.webp)
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)
TL;DR: 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) (CAS 164355-82-2) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5a-amino-7-methyl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
Also Known As: 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI), 5a-amino-7-methyl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol, 5a-Amino-7-methyl-4,5,5a,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 6-oxide
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | -0.7667 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 496.69846 |
Chemical Identifiers
| CAS Number | 164355-82-2 |
|---|---|
| SMILES | CC1=[N+](C2(CCC3=NON=C3C2(C1)O)N)[O-] |
Product Overview
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) (CAS 164355-82-2), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 5a-amino-7-methyl-6-oxido-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol.
Chemical Property Profile of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)
Property Insights of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)
The XLogP value of -0.7667 indicates that 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI). Following Lipinski's Rule of Five, 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) 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 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)?
The CAS number of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) is 164355-82-2.
What is the molecular formula of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)?
The molecular formula of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) is C9H12N4O3.
What is the molecular weight of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)?
The molecular weight of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) is 224.09 g/mol.
Where can I buy 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)?
You can request a quote for 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)?
Yes, KEHONG BIO provides custom synthesis services for 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.