CAS RN: 55496-65-6
3-(aMinoMethyl)-4-Methylpyridin-2(1H)-one hydrochloride
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.20250317 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS55496-65-6
- Purity/Analytical Methods: >99.0%
55496-65-6 / 3-(aminomethyl)-4-methyl-1H-pyridin-2-one
Basic Information
CAS
55496-65-6
Multi CAS
Yes
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
InChI
InChI=1S/C7H10N2O/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,4,8H2,1H3,(H,9,10)
InChIKey
IIIRDTYAEMMSMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.69
TPSA
58.88
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
XLogP3
-0.5
Consensus LogP
-0.08
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.46
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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