CAS RN: 486-62-4
Ononin
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100mg | Out of stock | Inquiry | |
| Batchno.20250819 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260226 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250111 | 250mg | Out of stock | Inquiry | |
| Batchno.20260105 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 50mg | Out of stock | Inquiry | |
| Batchno.20250105 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTO0405
- Purity/Analytical Methods: >97.0%(HPLC)
486-62-4 / 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Basic Information
CAS
486-62-4
Multi CAS
Yes
Molecular Formula
C22H22O9
Molecular Weight
430.400000
Exact Mass
430.126382
InChI
InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
MGJLSBDCWOSMHL-MIUGBVLSSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
4
Molar refractivity
108.87
TPSA
138.82
LogP / Solubility
WLOGP
0.65
MLOGP
0.6
XLogP3
1
Consensus LogP
0.75
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
