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CAS 885229-42-5 1-(6-methoxypyridin-3-yl)propan-1-one molecular structure lightbox
CAS RN: 885229-42-5

1-(6-methoxypyridin-3-yl)propan-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS885229-42-5
  • Purity/Analytical Methods: >99.0%
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885229-42-5 / 1-(6-methoxy-3-pyridinyl)propan-1-one

Standard CAS: 885229-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885229-42-5
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-3-8(11)7-4-5-9(12-2)10-6-7/h4-6H,3H2,1-2H3
InChIKey
QPQZLVUOFQEHBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
45.41
TPSA
39.19

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.3
Consensus LogP
1.49
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.53

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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