Orelline
TL;DR: Orelline (CAS 72016-31-0) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(3-hydroxy-4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
Also Known As: Orelline, ORELLANINE II, (2,2'-Bipyridine)-3,3',4,4'-tetrol, 2,2 -Bi[pyridine-3,4-diol], [2,2'-Bipyridine]-3,3',4,4'-tetrol
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 72016-31-0 |
|---|---|
| SMILES | C1=CNC(=C(C1=O)O)C2=C(C(=O)C=CN2)O |
| InChIKey | KGTLLZFATVDCCC-UHFFFAOYSA-N |
Product Overview
Orelline (CAS 72016-31-0), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: 3-hydroxy-2-(3-hydroxy-4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.
Chemical Property Profile of Orelline
Property Insights of Orelline
The XLogP value of -0.3 indicates that Orelline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Orelline. Following Lipinski's Rule of Five, Orelline has 4 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 Orelline?
The CAS number of Orelline is 72016-31-0.
What is the molecular formula of Orelline?
The molecular formula of Orelline is C10H8N2O4.
What is the molecular weight of Orelline?
The molecular weight of Orelline is 220.05 g/mol.
Where can I buy Orelline?
You can request a quote for Orelline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orelline?
Yes, KEHONG BIO provides custom synthesis services for Orelline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.