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CAS 195197-94-5 tert-butyl 3-(tert-butyldimethylsilyloxy)-2-hydroxypropylcarbamate molecular structure lightbox
CAS RN: 195197-94-5

tert-butyl 3-(tert-butyldimethylsilyloxy)-2-hydroxypropylcarbamate

  • Product code: SSC-092071
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 195197-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry

195197-94-5 / tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate

Standard CAS: 195197-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195197-94-5
Multi CAS
No
Molecular Formula
C14H31NO4Si
Molecular Weight
305.490000
Exact Mass
305.202235
SMILES
CC(C)(C)OC(=O)NCC(CO[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C14H31NO4Si/c1-13(2,3)19-12(17)15-9-11(16)10-18-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,15,17)
InChIKey
ZODMDGQSPVUKOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.39
TPSA
67.79

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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