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CAS 147725-62-0 (1S)-1-((1S,3aR,7aR)-4-(tert-butyldiMethylsilyloxy)-7a-Methyloctahydro-1H-inden-1-yl)ethanol molecular structure lightbox
CAS RN: 147725-62-0

(1S)-1-((1S,3aR,7aR)-4-(tert-butyldiMethylsilyloxy)-7a-Methyloctahydro-1H-inden-1-yl)ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS147725-62-0
  • Purity/Analytical Methods: >99.0%
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147725-62-0 / (1S)-1-[(1S,3aR,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]ethanol

Standard CAS: 147725-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147725-62-0
Multi CAS
No
Molecular Formula
C18H36O2Si
Molecular Weight
312.600000
Exact Mass
312.248457
SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCCC2O[Si](C)(C)C(C)(C)C)C)O
InChI
InChI=1S/C18H36O2Si/c1-13(19)14-10-11-15-16(9-8-12-18(14,15)5)20-21(6,7)17(2,3)4/h13-16,19H,8-12H2,1-7H3/t13-,14+,15-,16?,18+/m0/s1
InChIKey
QDFQHDWFYMRCJG-MRVBUVOGSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.92
TPSA
29.46

LogP / Solubility

WLOGP
4.97
MLOGP
4.39
XLogP3
4.97
Consensus LogP
4.78
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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
No
Log Kp (skin permeation)
-1.1

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
5

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