CAS RN: 1334412-55-3
tert-butyl 3-fluoro-4-(hydroxyMethyl)-4-Methylpiperidine-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.20260212 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-040184
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 | Shanghai | Inquiry |
1334412-55-3 / tert-butyl 3-fluoro-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
Basic Information
CAS
1334412-55-3
Multi CAS
No
Molecular Formula
C12H22FNO3
Molecular Weight
247.310000
Exact Mass
247.158372
SMILES
CC1(CCN(CC1F)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H22FNO3/c1-11(2,3)17-10(16)14-6-5-12(4,8-15)9(13)7-14/h9,15H,5-8H2,1-4H3
InChIKey
WPIMHKNZSIWQHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.51
TPSA
49.77
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1334414-41-3 ETHYL 4-BENZYL-7-Boc-4,7-DIAZABICYCLO[4,3,0]NONANE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82685135.gif)
