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CAS 1359655-69-8 2-Boc-2,5-diazaspiro[3.4]octane oxalate molecular structure lightbox
CAS RN: 1359655-69-8

2-Boc-2,5-diazaspiro[3.4]octane oxalate

  • Product code: SSC-044524
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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
  • 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 1359655-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

1359655-69-8 / tert-butyl 2,5-diazaspiro[3.4]octane-2-carboxylate;oxalic acid

Standard CAS: 1359655-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1359655-69-8
Multi CAS
No
Molecular Formula
C13H22N2O6
Molecular Weight
302.320000
Exact Mass
302.147786
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCN2.C(=O)(C(=O)O)O
InChI
InChI=1S/C11H20N2O2.C2H2O4/c1-10(2,3)15-9(14)13-7-11(8-13)5-4-6-12-11;3-1(4)2(5)6/h12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
CKDFXVYACWODKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
73.05
TPSA
116.17

LogP / Solubility

WLOGP
0.51
MLOGP
0.47
XLogP3
0.51
Consensus LogP
0.5
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

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
3.5

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