CAS RN: 78876-50-3
7-Prenyloxyaromadendrin
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.20250331 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS78876-50-3
- Purity/Analytical Methods: >99.0%
78876-50-3 / (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
Basic Information
CAS
78876-50-3
Multi CAS
No
Molecular Formula
C20H20O6
Molecular Weight
356.400000
Exact Mass
356.125988
InChI
InChI=1S/C20H20O6/c1-11(2)7-8-25-14-9-15(22)17-16(10-14)26-20(19(24)18(17)23)12-3-5-13(21)6-4-12/h3-7,9-10,19-22,24H,8H2,1-2H3/t19-,20+/m0/s1
InChIKey
CITFYDYEWQIEPX-VQTJNVASSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
94.85
TPSA
96.22
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.7
Consensus LogP
3.19
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-2.68
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
3.5
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