CAS RN: 81506-24-3
(Z)-2-((3S,5R)-3,5-bis((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
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.20260504 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81506-24-3
- Purity/Analytical Methods: >99.0%
81506-24-3 / (2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
Basic Information
CAS
81506-24-3
Multi CAS
Yes
Molecular Formula
C21H42O3Si2
Molecular Weight
398.700000
Exact Mass
398.267248
InChI
InChI=1S/C21H42O3Si2/c1-16-17(12-13-22)14-18(23-25(8,9)20(2,3)4)15-19(16)24-26(10,11)21(5,6)7/h12,18-19,22H,1,13-15H2,2-11H3/b17-12-/t18-,19+/m1/s1
InChIKey
APRWHRXRPYRYKF-AIZSWXQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.68
TPSA
38.69
LogP / Solubility
WLOGP
6.04
MLOGP
5.34
XLogP3
6.04
Consensus LogP
5.81
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-0.87
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
3.5
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