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CAS 288247-82-5 (R)-3-(Pyrrolidin-2-yl)pyridine dihydrochloride molecular structure lightbox
CAS RN: 288247-82-5

(R)-3-(Pyrrolidin-2-yl)pyridine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS288247-82-5
  • Purity/Analytical Methods: >99.0%
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288247-82-5 / 3-pyrrolidin-2-ylpyridine;dihydrochloride

Standard CAS: 288247-82-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
288247-82-5
Multi CAS
Yes
Molecular Formula
C9H14Cl2N2
Molecular Weight
221.120000
Exact Mass
220.053404
InChI
InChI=1S/C9H12N2.2ClH/c1-3-8(7-10-5-1)9-4-2-6-11-9;;/h1,3,5,7,9,11H,2,4,6H2;2*1H
InChIKey
AOKIOTLTYKVREB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.71
TPSA
24.92

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.35
Consensus LogP
2.26
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
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)
-2.4

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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