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CAS 1256818-46-8 1-(5-cyclopropylpyridin-3-yl)ethanone molecular structure lightbox
CAS RN: 1256818-46-8

1-(5-cyclopropylpyridin-3-yl)ethanone

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251025 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260202 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260104 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260324 5g Out of stock Inquiry
  • Product code: starshine_CAS1256818-46-8
  • Purity/Analytical Methods: >99.0%
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1256818-46-8 / 1-(5-cyclopropyl-3-pyridinyl)ethanone

Standard CAS: 1256818-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256818-46-8
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CC(=O)C1=CN=CC(=C1)C2CC2
InChI
InChI=1S/C10H11NO/c1-7(12)9-4-10(6-11-5-9)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKey
LQOWFPZJEOHITB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.22
TPSA
29.96

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.4
Consensus LogP
1.82
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.17

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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