![(5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol structure](/static/products/116/1164563-73-8.png)
(5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
TL;DR: (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol (CAS 1164563-73-8) is a chemical compound with molecular formula C14H14N4O3 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
Also Known As: (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol, (5aR,8aR)-5a-amino-8a-hydroxy-7-phenyl-5,5a,8,8a-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole 6-oxide
| Molecular Formula | C14H14N4O3 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.1066 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 1164563-73-8 |
|---|---|
| SMILES | C1C[C@@]2([C@@](CC(=[N+]2[O-])C3=CC=CC=C3)(C4=NON=C41)O)N |
| InChIKey | JENTZDUNXHZRGI-ZIAGYGMSSA-N |
Product Overview
(5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol (CAS 1164563-73-8), with molecular formula C14H14N4O3 and molecular weight 286.11 g/mol. IUPAC: (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol.
Chemical Property Profile of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
Property Insights of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol
The XLogP value of -1.3 indicates that (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol. Following Lipinski's Rule of Five, (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol 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 (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol?
The CAS number of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is 1164563-73-8.
What is the molecular formula of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol?
The molecular formula of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is C14H14N4O3.
What is the molecular weight of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol?
The molecular weight of (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol is 286.11 g/mol.
Where can I buy (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol?
You can request a quote for (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol?
Yes, KEHONG BIO provides custom synthesis services for (5aR,8aR)-5a-amino-6-oxido-7-phenyl-5,8-dihydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-6-ium-8a-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.