CAS RN: 1408076-00-5
(3S,4R)-Rel-4-(Boc-amino)-3-fluoropiperidine
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.20251101 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1408076-00-5
- Purity/Analytical Methods: >99.0%
1408076-00-5 / tert-butyl N-[[(3R,4S)-3-fluoropiperidin-4-yl]methyl]carbamate
Basic Information
CAS
1408076-00-5
Multi CAS
No
Molecular Formula
C11H21FN2O2
Molecular Weight
232.290000
Exact Mass
232.158706
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCNC[C@@H]1F
InChI
InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-8-4-5-13-7-9(8)12/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-/m0/s1
InChIKey
YFIXLOOYHRDQJF-IUCAKERBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.11
TPSA
50.36
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.1
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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