CAS RN: 101870-25-1
2(1H)-Pyridone,5-ethyl-4-methyl-(6CI)
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.20250417 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS101870-25-1
- Purity/Analytical Methods: >99.0%
101870-25-1 / 5-ethyl-4-methyl-1H-pyridin-2-one
SCHEMBL11707194 | AKOS006357570 | DB-280449
Basic Information
CAS
101870-25-1
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
SMILES
CCC1=CNC(=O)C=C1C
InChI
InChI=1S/C8H11NO/c1-3-7-5-9-8(10)4-6(7)2/h4-5H,3H2,1-2H3,(H,9,10)
InChIKey
ZZVXISLYFAZOKC-UHFFFAOYSA-N
Synonyms
SCHEMBL11707194
AKOS006357570
DB-280449
2(1H)-PYRIDONE, 5-ETHYL-4-METHYL-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.18
TPSA
32.86
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
0.5
Consensus LogP
0.95
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.67
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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