![8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) structure](/static/products/1643/164355-87-7.webp)
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI)
TL;DR: 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) (CAS 164355-87-7) is a chemical compound with molecular formula C14H14N4O4 and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5a-amino-3,6-dioxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol
Also Known As: 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI), 5a-amino-7-phenyl-4,5,5a,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 3,6-dioxide, 5a-amino-3,6-dioxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol
| Molecular Formula | C14H14N4O4 |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | -0.4999 |
| Topological Polar Surface Area | 125.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.1015 |
| Heavy Atoms | 22 |
| Complexity | 787.39545 |
Chemical Identifiers
| CAS Number | 164355-87-7 |
|---|---|
| SMILES | C1CC2(C(CC(=[N+]2[O-])C3=CC=CC=C3)(C4=NO[N+](=C41)[O-])O)N |
Product Overview
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) (CAS 164355-87-7), with molecular formula C14H14N4O4 and molecular weight 302.10 g/mol. IUPAC: 5a-amino-3,6-dioxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-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-phenyl-,3,6-dioxide(9CI)
Property Insights of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI)
The XLogP value of -0.4999 indicates that 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.29 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-phenyl-,3,6-dioxide(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-phenyl-,3,6-dioxide(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-phenyl-,3,6-dioxide(9CI)?
The CAS number of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) is 164355-87-7.
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-phenyl-,3,6-dioxide(9CI)?
The molecular formula of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) is C14H14N4O4.
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-phenyl-,3,6-dioxide(9CI)?
The molecular weight of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-phenyl-,3,6-dioxide(9CI) is 302.10 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-phenyl-,3,6-dioxide(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-phenyl-,3,6-dioxide(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-phenyl-,3,6-dioxide(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-phenyl-,3,6-dioxide(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.