CAS RN: 1692781-26-2
6-((Ethylamino)methyl)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.20260210 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1692781-26-2
- Purity/Analytical Methods: >99.0%
1692781-26-2 / 6-(ethylaminomethyl)-1H-pyridin-2-one
Basic Information
CAS
1692781-26-2
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
CCNCC1=CC=CC(=O)N1
InChI
InChI=1S/C8H12N2O/c1-2-9-6-7-4-3-5-8(11)10-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKey
SDNIEIXWTOHGRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.44
TPSA
44.89
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
Consensus LogP
0.3
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.3
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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