![CAS 1341035-92-4 Tert-Butyl 3-(Aminomethyl)-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate(WX100701) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341035-92-4.gif)
CAS RN: 1341035-92-4
Tert-Butyl 3-(Aminomethyl)-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate(WX100701)
- Product code: SSC-041383
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: >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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
1341035-92-4 / tert-butyl 3-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Basic Information
CAS
1341035-92-4
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(CO2)CN
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-5-4-13(9-15)6-10(7-14)8-17-13/h10H,4-9,14H2,1-3H3
InChIKey
HIIRWGRMPFSSLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.27
TPSA
64.79
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
0.4
Consensus LogP
0.99
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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