CAS RN: 1391478-72-0
(S)-2-(2-(Trifluoromethyl)phenyl)piperidine 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.20260515 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391478-72-0
- Purity/Analytical Methods: >99.0%
1391478-72-0 / (2S)-2-[2-(trifluoromethyl)phenyl]piperidine;hydrochloride
Basic Information
CAS
1391478-72-0
Multi CAS
No
Molecular Formula
C12H15ClF3N
Molecular Weight
265.700000
Exact Mass
265.084512
SMILES
C1CCN[C@@H](C1)C2=CC=CC=C2C(F)(F)F.Cl
InChI
InChI=1S/C12H14F3N.ClH/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11;/h1-2,5-6,11,16H,3-4,7-8H2;1H/t11-;/m0./s1
InChIKey
NBVVWIDMOJBRLN-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.29
TPSA
12.03
LogP / Solubility
WLOGP
3.94
MLOGP
3.48
XLogP3
3.94
Consensus LogP
3.79
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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