CAS RN: 1345697-13-3
tert-butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-042410
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1345697-13-3 / tert-butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
Basic Information
CAS
1345697-13-3
Multi CAS
No
Molecular Formula
C11H20FNO3
Molecular Weight
233.280000
Exact Mass
233.142722
SMILES
CC(C)(C)OC(=O)N1CCC[C@](C1)(CO)F
InChI
InChI=1S/C11H20FNO3/c1-10(2,3)16-9(15)13-6-4-5-11(12,7-13)8-14/h14H,4-8H2,1-3H3/t11-/m0/s1
InChIKey
QBQOPNYILDXCBJ-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.97
TPSA
49.77
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.92
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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