CAS RN: 192573-33-4
(1S,3aR,7aR)-Octahydro-7a-Methyl-1-((1S)-1-(3-Methyl-3-((triMethylsilyl)oxy)butoxy)ethyl)-4H-Inden-4-one
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.20250412 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS192573-33-4
- Purity/Analytical Methods: >99.0%
192573-33-4 / (1S,3aR,7aR)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
Basic Information
CAS
192573-33-4
Multi CAS
No
Molecular Formula
C20H38O3Si
Molecular Weight
354.600000
Exact Mass
354.259022
SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C)OCCC(C)(C)O[Si](C)(C)C
InChI
InChI=1S/C20H38O3Si/c1-15(22-14-13-19(2,3)23-24(5,6)7)16-10-11-17-18(21)9-8-12-20(16,17)4/h15-17H,8-14H2,1-7H3/t15-,16+,17-,20+/m0/s1
InChIKey
KOKCWHXZUQQNAX-PFRQMTDMSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
101.72
TPSA
35.53
LogP / Solubility
WLOGP
5.2
MLOGP
4.59
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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