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CAS 1523618-26-9 tert-Butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate oxalate(2:1) molecular structure lightbox
CAS RN: 1523618-26-9

tert-Butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate oxalate(2:1)

  • Product code: SSC-062237
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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 1523618-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong 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

1523618-26-9 / bis(tert-butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate);oxalic acid

Standard CAS: 1523618-26-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1523618-26-9
Multi CAS
No
Molecular Formula
C26H46N4O8
Molecular Weight
542.700000
Exact Mass
542.331564
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CNC2.CC(C)(C)OC(=O)N1CCCC2(C1)CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C12H22N2O2.C2H2O4/c2*1-11(2,3)16-10(15)14-6-4-5-12(9-14)7-13-8-12;3-1(4)2(5)6/h2*13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
XEIYRMZIEKPZDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
139.96
TPSA
157.74

LogP / Solubility

WLOGP
2.37
MLOGP
2.13
XLogP3
2.37
Consensus LogP
2.29
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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