Ononin
TL;DR: Ononin (CAS 486-62-4) is a chemical compound with molecular formula C22H22O9 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Ononin, Formononetin glucoside, Ononoside, Fomononetin, Onoside
| Molecular Formula | C22H22O9 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.12637 |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 486-62-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | MGJLSBDCWOSMHL-MIUGBVLSSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ononin (CAS 486-62-4), with molecular formula C22H22O9 and molecular weight 430.13 g/mol. IUPAC: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Ononin
Property Insights of Ononin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ononin. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ononin. Following Lipinski's Rule of Five, Ononin has 4 hydrogen bond donor(s) and 9 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 Ononin?
The CAS number of Ononin is 486-62-4.
What is the molecular formula of Ononin?
The molecular formula of Ononin is C22H22O9.
What is the molecular weight of Ononin?
The molecular weight of Ononin is 430.13 g/mol.
Where can I buy Ononin?
You can request a quote for Ononin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ononin?
Yes, KEHONG BIO provides custom synthesis services for Ononin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.