CAS RN: 1260602-67-2
(2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoropiperidine-2-carboxylic acid
- Product code: SSC-031673
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 | Shenzhen | Inquiry |
1260602-67-2 / (2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Basic Information
CAS
1260602-67-2
Multi CAS
No
Molecular Formula
C11H18FNO4
Molecular Weight
247.260000
Exact Mass
247.121986
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C[C@H]1C(=O)O)F
InChI
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(12)6-8(13)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
InChIKey
HTEKKPRKMGEXAE-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.49
TPSA
66.84
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.94
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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