![CAS 950586-26-2 4H-Inden-4-one, octahydro-7a-Methyl-1-[(1R,2E,4S)-1,4,5-triMethyl-5-[(triethylsilyl)oxy]-2-hexen-1-yl]-, (1R,3aR,7aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950586-26-2.gif)
CAS RN: 950586-26-2
4H-Inden-4-one, octahydro-7a-Methyl-1-[(1R,2E,4S)-1,4,5-triMethyl-5-[(triethylsilyl)oxy]-2-hexen-1-yl]-, (1R,3aR,7aR)-
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.20250712 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS950586-26-2
- Purity/Analytical Methods: >99.0%
950586-26-2 / (1R,3aR,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-triethylsilyloxyhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
Basic Information
CAS
950586-26-2
Multi CAS
Yes
Molecular Formula
C25H46O2Si
Molecular Weight
406.700000
Exact Mass
406.326707
InChI
InChI=1S/C25H46O2Si/c1-9-28(10-2,11-3)27-24(6,7)20(5)15-14-19(4)21-16-17-22-23(26)13-12-18-25(21,22)8/h14-15,19-22H,9-13,16-18H2,1-8H3/b15-14+/t19-,20+,21-,22+,25-/m1/s1
InChIKey
KGCSLEGUTMLXIQ-BOJVKBFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.88
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
123.01
TPSA
26.3
LogP / Solubility
WLOGP
7.4
MLOGP
6.54
XLogP3
7.4
Consensus LogP
7.11
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.53
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)
0.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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