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CAS 1272655-91-0 ethyl 8-[(tert-butyldimethylsilyl)oxy]-2-azaspiro[4.5]decane-3-carboxylate molecular structure lightbox
CAS RN: 1272655-91-0

ethyl 8-[(tert-butyldimethylsilyl)oxy]-2-azaspiro[4.5]decane-3-carboxylate

  • Product code: SSC-034736
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >97%
  • 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 1272655-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shanghai Inquiry

1272655-91-0 / ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[4.5]decane-3-carboxylate

Standard CAS: 1272655-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1272655-91-0
Multi CAS
No
Molecular Formula
C18H35NO3Si
Molecular Weight
341.600000
Exact Mass
341.238621
SMILES
CCOC(=O)C1CC2(CCC(CC2)O[Si](C)(C)C(C)(C)C)CN1
InChI
InChI=1S/C18H35NO3Si/c1-7-21-16(20)15-12-18(13-19-15)10-8-14(9-11-18)22-23(5,6)17(2,3)4/h14-15,19H,7-13H2,1-6H3
InChIKey
XAYBFASIKQZINL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.94
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.01
TPSA
47.56

LogP / Solubility

WLOGP
3.86
MLOGP
3.42
XLogP3
3.86
Consensus LogP
3.71
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

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
4

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