CAS RN: 2468620-80-4
3,3-difluoro-1-methylpiperidin-4-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.20250726 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2468620-80-4
- Purity/Analytical Methods: >99.0%
2468620-80-4 / 3,3-difluoro-1-methylpiperidin-4-ol;hydrochloride
Basic Information
CAS
2468620-80-4
Multi CAS
No
Molecular Formula
C6H12ClF2NO
Molecular Weight
187.610000
Exact Mass
187.057548
SMILES
CN1CCC(C(C1)(F)F)O.Cl
InChI
InChI=1S/C6H11F2NO.ClH/c1-9-3-2-5(10)6(7,8)4-9;/h5,10H,2-4H2,1H3;1H
InChIKey
YLJYAGLSSPAZHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.32
TPSA
23.47
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.34
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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