CAS RN: 5356-56-9
β-AMyrenonol acetate
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.20260322 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS5356-56-9
- Purity/Analytical Methods: >99.0%
5356-56-9 / [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate
Basic Information
CAS
5356-56-9
Multi CAS
Yes
Molecular Formula
C32H50O3
Molecular Weight
482.700000
Exact Mass
482.375995
InChI
InChI=1S/C11H7ClN2O3S/c12-7-3-4-8(9(6-7)14(16)17)13-11(15)10-2-1-5-18-10/h1-6H,(H,13,15)
InChIKey
PUABAHPYKYPLMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
140.66
TPSA
43.37
LogP / Solubility
WLOGP
7.92
MLOGP
7
XLogP3
8.7
Consensus LogP
7.87
Log S (ESOL)
-7.76
Class (ESOL)
Insoluble
Log S (Ali)
-9.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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