CAS RN: 1027995-71-6
3-Benzyloxy-azetidine-1-carboxylicacidtert-butylester
- Product code: SSC-004152
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: 5g, 1g, 10g, 0.1g, 0.25g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 3 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 10g | -- | 3 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
1027995-71-6 / tert-butyl 3-phenylmethoxyazetidine-1-carboxylate
tert-butyl 3-(benzyloxy)azetidine-1-carboxylate | 1-Boc-3-(benzyloxy)azetidine | MFCD09907653
Basic Information
CAS
1027995-71-6
Multi CAS
No
Molecular Formula
C15H21NO3
Molecular Weight
263.330000
Exact Mass
263.152144
SMILES
CC(C)(C)OC(=O)N1CC(C1)OCC2=CC=CC=C2
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-13(10-16)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKey
GUSDEHFSBBRSJQ-UHFFFAOYSA-N
Synonyms
tert-butyl 3-(benzyloxy)azetidine-1-carboxylate
1-Boc-3-(benzyloxy)azetidine
MFCD09907653
3-Benzyloxy-azetidine-1-carboxylicacidtert-butylester
3-BENZYLOXY-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.83
TPSA
38.77
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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