CAS RN: 1219220-82-2
tert-butyl 2-carbamoylazetidine-1-carboxylate
- Product code: SSC-024762
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: 10
- 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 | -- | 3 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 3 In Stock | Beijing | Inquiry |
| 1g | -- | 3 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | -- | 3 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 10g | -- | 3 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Shenzhen | Inquiry |
1219220-82-2 / tert-butyl 2-carbamoylazetidine-1-carboxylate
Basic Information
CAS
1219220-82-2
Multi CAS
No
Molecular Formula
C9H16N2O3
Molecular Weight
200.230000
Exact Mass
200.116092
SMILES
CC(C)(C)OC(=O)N1CCC1C(=O)N
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)
InChIKey
NDEIKFCAPOYPHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.54
TPSA
72.63
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.2
Consensus LogP
0.37
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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