CAS RN: 695-19-2
1-Methyl-4(1H)-pyridinone
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.20250628 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS695-19-2
- Purity/Analytical Methods: >99.0%
695-19-2 / 1-methylpyridin-4-one
Basic Information
CAS
695-19-2
Multi CAS
No
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
InChI
InChI=1S/C6H7NO/c1-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
OYPBUQASUUMJKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
Molar refractivity
31.68
TPSA
22
LogP / Solubility
WLOGP
0.39
MLOGP
0.33
XLogP3
-1.2
Consensus LogP
-0.16
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.11
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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