Orellinine
TL;DR: Orellinine (CAS 98726-96-6) is a chemical compound with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxy-2-(3-hydroxy-4-oxo-1H-pyridin-2-yl)pyridin-4-one
Also Known As: Orellinine, (2,2'-Bipyridine)-3,3',4,4'-tetrol, 1-oxide, 3,3',4,4'-tetrahydroxy-2,2'-bipyridyl-N-oxide, 2,2 -Bipyridine-3,3 ,4,4 -tetrol 1-oxide, 1,3-dihydroxy-2-(3-hydroxy-4-oxo-1H-pyridin-2-yl)pyridin-4-one
| Molecular Formula | C10H8N2O5 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.04332 |
| Heavy Atoms | 17 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 98726-96-6 |
|---|---|
| SMILES | C1=CNC(=C(C1=O)O)C2=C(C(=O)C=CN2O)O |
| InChIKey | LOUMPEZROUNOGN-UHFFFAOYSA-N |
Product Overview
Orellinine (CAS 98726-96-6), with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol. IUPAC: 1,3-dihydroxy-2-(3-hydroxy-4-oxo-1H-pyridin-2-yl)pyridin-4-one.
Chemical Property Profile of Orellinine
Property Insights of Orellinine
The XLogP value of -0.6 indicates that Orellinine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Orellinine. Following Lipinski's Rule of Five, Orellinine has 4 hydrogen bond donor(s) and 7 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 Orellinine?
The CAS number of Orellinine is 98726-96-6.
What is the molecular formula of Orellinine?
The molecular formula of Orellinine is C10H8N2O5.
What is the molecular weight of Orellinine?
The molecular weight of Orellinine is 236.04 g/mol.
Where can I buy Orellinine?
You can request a quote for Orellinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orellinine?
Yes, KEHONG BIO provides custom synthesis services for Orellinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.