CAS RN: 918503-72-7
1-(6-chloropyridin-3-yl)butan-1-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS918503-72-7
- Purity/Analytical Methods: >99.0%
918503-72-7 / 1-(6-chloro-3-pyridinyl)butan-1-one
Basic Information
CAS
918503-72-7
Multi CAS
No
Molecular Formula
C9H10CLNO
Molecular Weight
183.630000
Exact Mass
183.045092
InChI
InChI=1S/C9H10ClNO/c1-2-3-8(12)7-4-5-9(10)11-6-7/h4-6H,2-3H2,1H3
InChIKey
KOJXAYDVESWDSW-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
2
Molar refractivity
48.49
TPSA
29.96
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.3
Consensus LogP
2.47
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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