CAS RN: 2326563-29-3
3-(Aminomethyl)-6-methyl-4-(methylthio)pyridin-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.20251221 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-112950
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2326563-29-3 / 3-(aminomethyl)-6-methyl-4-methylsulfanyl-1H-pyridin-2-one
Basic Information
CAS
2326563-29-3
Multi CAS
No
Molecular Formula
C8H12N2OS
Molecular Weight
184.260000
Exact Mass
184.067034
SMILES
CC1=CC(=C(C(=O)N1)CN)SC
InChI
InChI=1S/C8H12N2OS/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3H,4,9H2,1-2H3,(H,10,11)
InChIKey
OHAJSZNMOBVLIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.47
TPSA
58.88
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.2
Consensus LogP
0.61
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.23
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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