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CAS 102878-30-8 1-Propanone,1-(4-methyl-2-pyridyl)-(6CI) molecular structure lightbox
CAS RN: 102878-30-8

1-Propanone,1-(4-methyl-2-pyridyl)-(6CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS102878-30-8
  • Purity/Analytical Methods: >99.0%
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102878-30-8 / 1-(4-methyl-2-pyridinyl)propan-1-one

1-(4-methylpyridin-2-yl)propan-1-one | 1-Propanone,1-(4-methyl-2-pyridyl)-(6CI) | 1-(4-methyl-pyridin-2-yl)-propan-1-one

Standard CAS: 102878-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102878-30-8
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CCC(=O)C1=NC=CC(=C1)C
InChI
InChI=1S/C9H11NO/c1-3-9(11)8-6-7(2)4-5-10-8/h4-6H,3H2,1-2H3
InChIKey
OFTSDRMALRIGMV-UHFFFAOYSA-N
Synonyms
1-(4-methylpyridin-2-yl)propan-1-one 1-Propanone,1-(4-methyl-2-pyridyl)-(6CI) 1-(4-methyl-pyridin-2-yl)-propan-1-one SCHEMBL2643031 SCHEMBL2643034

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.6
TPSA
29.96

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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