CAS RN: 757239-60-4
Methyl 1-Cbz-azetidine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-185181
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
757239-60-4 / 1-O-benzyl 3-O-methyl azetidine-1,3-dicarboxylate
Basic Information
CAS
757239-60-4
Multi CAS
Yes
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
InChI
InChI=1S/C13H15NO4/c1-17-12(15)11-7-14(8-11)13(16)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
VMBHUIMZBSWWCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.71
TPSA
55.84
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.3
Consensus LogP
1.33
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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