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CAS 183795-20-2 trans-3-[(tert-butyldimethylsilyl)oxy]cyclopentan-1-ol molecular structure lightbox
CAS RN: 183795-20-2

trans-3-[(tert-butyldimethylsilyl)oxy]cyclopentan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS183795-20-2
  • Purity/Analytical Methods: >99.0%
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183795-20-2 / trans-(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol

Standard CAS: 183795-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183795-20-2
Multi CAS
No
Molecular Formula
C11H24O2Si
Molecular Weight
216.390000
Exact Mass
216.154557
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](C1)O
InChI
InChI=1S/C11H24O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h9-10,12H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKey
NLXIOZRBFNUITF-UWVGGRQHSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.93
TPSA
29.46

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.92
Consensus LogP
2.8
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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