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CAS 18105-64-1 TRI-T-BUTOXYCHLOROSILANE molecular structure lightbox
CAS RN: 18105-64-1

TRI-T-BUTOXYCHLOROSILANE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS18105-64-1
  • Purity/Analytical Methods: >99.0%
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18105-64-1 / chloro-tris[(2-methylpropan-2-yl)oxy]silane

Standard CAS: 18105-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18105-64-1
Multi CAS
No
Molecular Formula
C12H27ClO3Si
Molecular Weight
282.880000
Exact Mass
282.141799
SMILES
CC(C)(C)O[Si](OC(C)(C)C)(OC(C)(C)C)Cl
InChI
InChI=1S/C12H27ClO3Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h1-9H3
InChIKey
FVBYRRMYZCJOAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
74.12
TPSA
27.69

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
4.11
Consensus LogP
3.95
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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
1.5

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