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CAS 144852-18-6 2-Pyridinemethanamine,alpha-(1-methylethyl)-,(alphaS)-(9CI) molecular structure lightbox
CAS RN: 144852-18-6

2-Pyridinemethanamine,alpha-(1-methylethyl)-,(alphaS)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS144852-18-6
  • Purity/Analytical Methods: >99.0%
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144852-18-6 / (1S)-2-methyl-1-pyridin-2-ylpropan-1-amine

Standard CAS: 144852-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144852-18-6
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
CC(C)[C@@H](C1=CC=CC=N1)N
InChI
InChI=1S/C9H14N2/c1-7(2)9(10)8-5-3-4-6-11-8/h3-7,9H,10H2,1-2H3/t9-/m0/s1
InChIKey
DQKQDUXKROXADZ-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46
TPSA
38.91

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.4

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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