CAS RN: 1134621-22-9
5-((2S)(2-PIPERIDYL))-2-CHLOROPYRIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260331 |
50mg / 100mg / 250mg / 1g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS1134621-22-9
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Purity/Analytical Methods:
>99.0%
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1134621-22-9 / 2-chloro-5-[(2S)-piperidin-2-yl]pyridine
2-chloro-5-(piperidin-2-yl)pyridine | RefChem:469236 | 859-994-7
Standard CAS: 1134621-22-9
Multi CAS: Yes
Basic Information
CAS
1134621-22-9
Multi CAS
Yes
Molecular Formula
C10H13ClN2
Molecular Weight
196.670000
Exact Mass
196.076726
SMILES
C1CCN[C@@H](C1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H13ClN2/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9/h4-5,7,9,12H,1-3,6H2/t9-/m0/s1
InChIKey
MFXUKXSXRHICJE-VIFPVBQESA-N
Synonyms
2-chloro-5-(piperidin-2-yl)pyridine
RefChem:469236
859-994-7
2-Chloro-5-(2-piperidyl)pyridine
AKOS006319034
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.84
TPSA
24.92
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2