CAS RN: 1638759-62-2
tert-butyl 3,3-difluoro-2-(hydroxymethyl)azetidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260425 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260610 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250728 | 1g | Out of stock | Inquiry | ||
| Batchno.20251017 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250828 | 5g | Out of stock | Inquiry |
- Product code: SSC-071299
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: 0.25g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1638759-62-2 / tert-butyl 3,3-difluoro-2-(hydroxymethyl)azetidine-1-carboxylate
Basic Information
CAS
1638759-62-2
Multi CAS
No
Molecular Formula
C9H15F2NO3
Molecular Weight
223.220000
Exact Mass
223.102000
SMILES
CC(C)(C)OC(=O)N1CC(C1CO)(F)F
InChI
InChI=1S/C9H15F2NO3/c1-8(2,3)15-7(14)12-5-9(10,11)6(12)4-13/h6,13H,4-5H2,1-3H3
InChIKey
PDINYBWXFNXFHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.76
TPSA
49.77
LogP / Solubility
WLOGP
1.23
MLOGP
1.09
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.21
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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