![CAS 1148044-31-8 1,6-Diaza-spiro[3.4]octane-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1148044-31-8.gif)
CAS RN: 1148044-31-8
1,6-Diaza-spiro[3.4]octane-1-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-014533
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: >97%
- Inventory rows with stock: 5
- 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 | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 3 In Stock | Beijing | Inquiry |
| 1g | >97% | 3 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
1148044-31-8 / tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
tert-Butyl 1,6-diazaspiro[3.4]octane-1-carboxylate | DTXSID10719156 | tert-Butyl 1,6-diazaspiro(3.4)octane-1-carboxylate
Basic Information
CAS
1148044-31-8
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CCC12CCNC2
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-5-11(13)4-6-12-8-11/h12H,4-8H2,1-3H3
InChIKey
OJDKDBHLSUSOBW-UHFFFAOYSA-N
Synonyms
tert-Butyl 1,6-diazaspiro[3.4]octane-1-carboxylate
DTXSID10719156
tert-Butyl 1,6-diazaspiro(3.4)octane-1-carboxylate
RefChem:383091
DTXCID30669902
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.77
TPSA
41.57
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
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