CAS RN: 882033-93-4
(3S,4R)-rel-1-Boc-3-fluoro-4-(hydroxyMethyl)piperidine
- Product code: SSC-198730
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
882033-93-4 / tert-butyl (3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
Basic Information
CAS
882033-93-4
Multi CAS
Yes
Molecular Formula
C11FH20NO3
Molecular Weight
233.280000
Exact Mass
233.142722
InChI
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKey
UIACYDBUYRFVMD-IUCAKERBSA-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
57.9
TPSA
49.77
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.03
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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