CAS RN: 586387-06-6
2(1H)-Pyridinone,1-ethyl-4-(phenylmethoxy)-(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.20260620 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS586387-06-6
- Purity/Analytical Methods: >99.0%
586387-06-6 / 1-ethyl-4-phenylmethoxypyridin-2-one
Basic Information
CAS
586387-06-6
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
InChI
InChI=1S/C14H15NO2/c1-2-15-9-8-13(10-14(15)16)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey
VSVYNQNOTDGPCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
67.15
TPSA
31.23
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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