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CAS 1408074-53-2 8-Boc-2,8-diaza-spiro[4.5]decane heMioxalate molecular structure lightbox
CAS RN: 1408074-53-2

8-Boc-2,8-diaza-spiro[4.5]decane heMioxalate

  • Product code: SSC-051312
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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: >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 1408074-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

1408074-53-2 / tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;oxalic acid

Standard CAS: 1408074-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408074-53-2
Multi CAS
No
Molecular Formula
C15H26N2O6
Molecular Weight
330.380000
Exact Mass
330.179087
SMILES
CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1.C(=O)(C(=O)O)O
InChI
InChI=1S/C13H24N2O2.C2H2O4/c1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;3-1(4)2(5)6/h14H,4-10H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
GTKILXYGKZLXMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
82.23
TPSA
116.17

LogP / Solubility

WLOGP
1.15
MLOGP
1.03
XLogP3
1.15
Consensus LogP
1.11
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.76
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

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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