CAS RN: 2061996-62-9
(S)-5-Fluoro-2-(pyrrolidin-2-yl)pyridine dihydrochloride
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.20251120 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2061996-62-9
- Purity/Analytical Methods: >99.0%
2061996-62-9 / 5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine;dihydrochloride
Basic Information
CAS
2061996-62-9
Multi CAS
No
Molecular Formula
C9H13Cl2FN2
Molecular Weight
239.110000
Exact Mass
238.043982
SMILES
C1C[C@H](NC1)C2=NC=C(C=C2)F.Cl.Cl
InChI
InChI=1S/C9H11FN2.2ClH/c10-7-3-4-9(12-6-7)8-2-1-5-11-8;;/h3-4,6,8,11H,1-2,5H2;2*1H/t8-;;/m0../s1
InChIKey
BEOGBHLIZSMRJT-JZGIKJSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.67
TPSA
24.92
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.41
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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