CAS RN: 142646-43-3
8-(1,1-Dimethyl-2-propenyl)kaempferol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260427 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142646-43-3
- Purity/Analytical Methods: >99.0%
142646-43-3 / 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylbut-3-en-2-yl)chromen-4-one
Basic Information
CAS
142646-43-3
Multi CAS
No
Molecular Formula
C20H18O6
Molecular Weight
354.400000
Exact Mass
354.110338
SMILES
CC(C)(C=C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C20H18O6/c1-4-20(2,3)15-13(23)9-12(22)14-16(24)17(25)18(26-19(14)15)10-5-7-11(21)8-6-10/h4-9,21-23,25H,1H2,2-3H3
InChIKey
GHPQDENIZBUDAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
97.8
TPSA
111.13
LogP / Solubility
WLOGP
3.75
MLOGP
3.32
XLogP3
4.5
Consensus LogP
3.86
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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