CAS RN: 22280-02-0
3-METHYL-4-HYDROXYPYRIDINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-107859
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
22280-02-0 / 3-methyl-1H-pyridin-4-one
Basic Information
CAS
22280-02-0
Multi CAS
No
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
SMILES
CC1=CNC=CC1=O
InChI
InChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)
InChIKey
RZUBLMCZJPIOPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.8
TPSA
32.86
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.5
Consensus LogP
0.59
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
