![CAS 1523571-07-4 5-Boc-2,5-diazaspiro[3.5]nonane hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523571-07-4.gif)
CAS RN: 1523571-07-4
5-Boc-2,5-diazaspiro[3.5]nonane hemioxalate
- Product code: SSC-062152
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, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1523571-07-4 / bis(tert-butyl 2,5-diazaspiro[3.5]nonane-5-carboxylate);oxalic acid
Basic Information
CAS
1523571-07-4
Multi CAS
No
Molecular Formula
C26H46N4O8
Molecular Weight
542.700000
Exact Mass
542.331564
SMILES
CC(C)(C)OC(=O)N1CCCCC12CNC2.CC(C)(C)OC(=O)N1CCCCC12CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C12H22N2O2.C2H2O4/c2*1-11(2,3)16-10(15)14-7-5-4-6-12(14)8-13-9-12;3-1(4)2(5)6/h2*13H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
SVACKVJTQHYNHY-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
140.06
TPSA
157.74
LogP / Solubility
WLOGP
2.65
MLOGP
2.38
XLogP3
2.65
Consensus LogP
2.56
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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
Yes
Log Kp (skin permeation)
-4.15
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
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