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CAS 1545158-39-1 tert-butyl 4-amino-1-azaspiro[4.4]nonane-1-carboxylate molecular structure lightbox
CAS RN: 1545158-39-1

tert-butyl 4-amino-1-azaspiro[4.4]nonane-1-carboxylate

  • Product code: SSC-063817
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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: >95%
  • Inventory rows with stock: 3
  • 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 1545158-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1545158-39-1 / tert-butyl 4-amino-1-azaspiro[4.4]nonane-1-carboxylate

Standard CAS: 1545158-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1545158-39-1
Multi CAS
No
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC(C)(C)OC(=O)N1CCC(C12CCCC2)N
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-10(14)13(15)7-4-5-8-13/h10H,4-9,14H2,1-3H3
InChIKey
ZVTWRNPATYORKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.73
TPSA
55.56

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
1.5
Consensus LogP
1.92
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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