CAS RN: 99307-96-7
2(1H)-Pyridinone,6-ethyl-5-methyl-(9CI)
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.20250807 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99307-96-7
- Purity/Analytical Methods: >99.0%
99307-96-7 / 6-ethyl-5-methyl-1H-pyridin-2-one
Basic Information
CAS
99307-96-7
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-3-7-6(2)4-5-8(10)9-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKey
VWBCYWNXJXZABS-UHFFFAOYSA-N
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
0.9
Consensus LogP
1.08
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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- Product Code: starshine_CAS99323-21-4
- Purity/Analytical method: >99.0%
