CAS RN: 22136-74-9
podocarpusflavone A
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250803 | 10mg | Out of stock | Inquiry | |
| Batchno.20250705 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251029 | 25mg | Out of stock | Inquiry | |
| Batchno.20250805 | 50mg | Out of stock | Inquiry | |
| Batchno.20251008 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20260625 | 5mg / 10mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS22136-74-9
- Purity/Analytical Methods: >99.0%
22136-74-9 / 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Basic Information
CAS
22136-74-9
Multi CAS
No
Molecular Formula
C31H20O10
Molecular Weight
552.500000
Exact Mass
552.105647
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI
InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3
InChIKey
RBTRUVNXLDXHBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
32
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
149.71
TPSA
170.8
LogP / Solubility
WLOGP
5.44
MLOGP
4.83
XLogP3
5.4
Consensus LogP
5.22
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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