CAS RN: 478-01-3
Nobiletin
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250719 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260130 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260430 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251128 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251023 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260511 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTN0871
- Purity/Analytical Methods: >95.0%(HPLC)
478-01-3 / 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Basic Information
CAS
478-01-3
Multi CAS
Yes
Molecular Formula
C21H22O8
Molecular Weight
402.400000
Exact Mass
402.131468
InChI
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
InChIKey
MRIAQLRQZPPODS-UHFFFAOYSA-N
Physical Properties
Melting Point
134 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
107.23
TPSA
85.59
LogP / Solubility
WLOGP
3.51
MLOGP
3.11
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
