CAS RN: 1391448-39-7
(2R)-2-(4-CHLOROPHENYL)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.20251030 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391448-39-7
- Purity/Analytical Methods: >99.0%
1391448-39-7 / (2R)-2-(4-chlorophenyl)piperidine;hydrochloride
Basic Information
CAS
1391448-39-7
Multi CAS
No
Molecular Formula
C11H15Cl2N
Molecular Weight
232.150000
Exact Mass
231.058155
SMILES
C1CCN[C@H](C1)C2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C11H14ClN.ClH/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h4-7,11,13H,1-3,8H2;1H/t11-;/m1./s1
InChIKey
POXMBRSBLGHIQE-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.29
TPSA
12.03
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-1.6
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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