CAS RN: 64114-19-8

2-Methyl Nornicotine

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Batchno.20250627 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64114-19-8
  • Purity/Analytical Methods: >99.0%
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64114-19-8 / 2-methyl-3-pyrrolidin-2-ylpyridine

Standard CAS: 64114-19-8 Multi CAS: No

Basic Information

CAS
64114-19-8
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
InChI
InChI=1S/C10H14N2/c1-8-9(4-2-6-11-8)10-5-3-7-12-10/h2,4,6,10,12H,3,5,7H2,1H3
InChIKey
PNNMNLLCHYHPBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.95
TPSA
24.92

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.1
Consensus LogP
1.5
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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