![CAS 236406-49-8 2,7-DIAZA-SPIRO[4.4]NONANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/236406-49-8.gif)
CAS RN: 236406-49-8
2,7-DIAZA-SPIRO[4.4]NONANE-2-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-115066
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: 0.25g, 5g, 1g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shanghai | Inquiry |
| 25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 1 In Stock | Hong Kong | Inquiry |
236406-49-8 / tert-butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
Basic Information
CAS
236406-49-8
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-5-12(9-14)4-6-13-8-12/h13H,4-9H2,1-3H3
InChIKey
HPPARSNAMZJAPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.34
TPSA
41.57
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.1
Consensus LogP
1.38
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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