CAS RN: 1620656-05-4
(S)-4,4-difluoropiperidin-3-ol hydrochloride
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.20250415 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1620656-05-4
- Purity/Analytical Methods: >99.0%
1620656-05-4 / (3S)-4,4-difluoropiperidin-3-ol;hydrochloride
Basic Information
CAS
1620656-05-4
Multi CAS
No
Molecular Formula
C5H10ClF2NO
Molecular Weight
173.590000
Exact Mass
173.041898
SMILES
C1CNC[C@@H](C1(F)F)O.Cl
InChI
InChI=1S/C5H9F2NO.ClH/c6-5(7)1-2-8-3-4(5)9;/h4,8-9H,1-3H2;1H/t4-;/m0./s1
InChIKey
QAPULPLRJGHBBX-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.69
TPSA
32.26
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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