CAS RN: 1859979-00-2
“8-(1,1-Dimethyl-2-propenyl)-3′-methoxykaempferol”
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.20260622 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1859979-00-2
- Purity/Analytical Methods: >99.0%
1859979-00-2 / 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(2-methylbut-3-en-2-yl)chromen-4-one
Basic Information
CAS
1859979-00-2
Multi CAS
No
Molecular Formula
C21H20O7
Molecular Weight
384.400000
Exact Mass
384.120903
SMILES
CC(C)(C=C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O)O
InChI
InChI=1S/C21H20O7/c1-5-21(2,3)16-13(24)9-12(23)15-17(25)18(26)19(28-20(15)16)10-6-7-11(22)14(8-10)27-4/h5-9,22-24,26H,1H2,2-4H3
InChIKey
BLDDYUBVDIKZAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
104.35
TPSA
120.36
LogP / Solubility
WLOGP
3.75
MLOGP
3.33
XLogP3
4.4
Consensus LogP
3.83
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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)
-2.4
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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