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CAS 1160246-93-4 Tert-Butyl 3-Cyano-1-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate molecular structure lightbox
CAS RN: 1160246-93-4

Tert-Butyl 3-Cyano-1-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate

  • Product code: SSC-016069
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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, 1g, 5g
  • 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 1160246-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1160246-93-4 / tert-butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

TERT-BUTYL 3-CYANO-1-OXA-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE | MFCD12198531 | tert-Butyl3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Standard CAS: 1160246-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160246-93-4
Multi CAS
No
Molecular Formula
C14H22N2O3
Molecular Weight
266.340000
Exact Mass
266.163043
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)C#N
InChI
InChI=1S/C14H22N2O3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(9-15)10-18-14/h11H,4-8,10H2,1-3H3
InChIKey
UVHFFLIARIPWCK-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 3-CYANO-1-OXA-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE MFCD12198531 tert-Butyl3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate 1,1-Dimethylethyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate 8-Boc-1-oxa-8-azaspiro[4.5]decane-3-carbonitrile

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.44
TPSA
62.56

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
1.2
Consensus LogP
1.86
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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