CAS RN: 95878-02-7
6-(aMinoMethyl)pyridin-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.20251222 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS95878-02-7
- Purity/Analytical Methods: >99.0%
95878-02-7 / 6-(aminomethyl)-1H-pyridin-2-one;hydrochloride
Basic Information
CAS
95878-02-7
Multi CAS
No
Molecular Formula
C6H9CLN2O
Molecular Weight
160.600000
Exact Mass
160.040341
InChI
InChI=1S/C6H8N2O.ClH/c7-4-5-2-1-3-6(9)8-5;/h1-3H,4,7H2,(H,8,9);1H
InChIKey
HOMZDUVBYKVPOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.2
TPSA
58.88
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
XLogP3
0.26
Consensus LogP
0.25
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-3.52
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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