CAS RN: 1260664-87-6
(2S,4S)-4-Fluoro-Piperidine-1,2-Dicarboxylic Acid 1-Benzyl Ester(WX610033)
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260202 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250110 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260211 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250801 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251216 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1260664-87-6
- Purity/Analytical Methods: >99.0%
1260664-87-6 / (2S,4S)-4-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
Basic Information
CAS
1260664-87-6
Multi CAS
No
Molecular Formula
C14H16FNO4
Molecular Weight
281.280000
Exact Mass
281.106336
SMILES
C1CN([C@@H](C[C@H]1F)C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H16FNO4/c15-11-6-7-16(12(8-11)13(17)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12-/m0/s1
InChIKey
OFKSKDKKCNWFIA-RYUDHWBXSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.89
TPSA
66.84
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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