CAS RN: 1255666-59-1
3,3-Difluoro-1-Boc-azetid…
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-030304
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: 5g, 25g
- 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.
1255666-59-1 / tert-butyl 3,3-difluoroazetidine-1-carboxylate
Basic Information
CAS
1255666-59-1
Multi CAS
No
Molecular Formula
C8H13F2NO2
Molecular Weight
193.190000
Exact Mass
193.091435
SMILES
CC(C)(C)OC(=O)N1CC(C1)(F)F
InChI
InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChIKey
GJXFELMSTZXKLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.75
TPSA
29.54
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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