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CAS 1540034-11-4 1-Azaspiro[4.4]nonane-1-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1540034-11-4

1-Azaspiro[4.4]nonane-1-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester

  • Product code: SSC-063381
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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: >97%
  • 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 1540034-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1540034-11-4 / tert-butyl 4-oxo-1-azaspiro[4.4]nonane-1-carboxylate

Standard CAS: 1540034-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1540034-11-4
Multi CAS
No
Molecular Formula
C13H21NO3
Molecular Weight
239.310000
Exact Mass
239.152144
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C12CCCC2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-6-10(15)13(14)7-4-5-8-13/h4-9H2,1-3H3
InChIKey
HHRNOJABFMZQFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.76
TPSA
46.61

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
1.7
Consensus LogP
2.14
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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