CAS RN: 1227576-13-7
4-Chloro-6-methylpyridin-2(1H)-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.20250718 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227576-13-7
- Purity/Analytical Methods: >99.0%
1227576-13-7 / 4-chloro-6-methyl-1H-pyridin-2-one
Basic Information
CAS
1227576-13-7
Multi CAS
No
Molecular Formula
C6H6ClNO
Molecular Weight
143.570000
Exact Mass
143.013792
SMILES
CC1=CC(=CC(=O)N1)Cl
InChI
InChI=1S/C6H6ClNO/c1-4-2-5(7)3-6(9)8-4/h2-3H,1H3,(H,8,9)
InChIKey
KVNCIZDMBVKRKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.81
TPSA
32.86
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.65
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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