CAS RN: 1174020-44-0
tert-butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251112 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-017256
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 0.25g, 1g, 5g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | >98% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 1 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 1 In Stock | Beijing | Inquiry |
| 25g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 1 In Stock | Shenzhen | Inquiry |
1174020-44-0 / tert-butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
tert-butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate | RefChem:891876 | 886-760-1
Basic Information
CAS
1174020-44-0
Multi CAS
Yes
Molecular Formula
C10H18FNO3
Molecular Weight
219.250000
Exact Mass
219.127072
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)F)O
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey
XRNLYXKYODGLMI-YUMQZZPRSA-N
Synonyms
tert-butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
RefChem:891876
886-760-1
(3S,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
MFCD18632749
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.33
TPSA
49.77
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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