CAS RN: 37529-91-2
4-ethyl-2(1H)-Pyridinone
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.20250728 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS37529-91-2
- Purity/Analytical Methods: >99.0%
37529-91-2 / 4-ethyl-1H-pyridin-2-one
Basic Information
CAS
37529-91-2
Multi CAS
Yes
Molecular Formula
C7H9NO
Molecular Weight
123.150000
Exact Mass
123.068414
InChI
InChI=1S/C7H9NO/c1-2-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKey
XNPOEWPFEMDQDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.44
TPSA
32.86
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
0.6
Consensus LogP
0.79
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.81
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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