CAS RN: 1041861-94-2
2(1H)-Pyridinone, 4-(4-aMinophenoxy)-
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.20250214 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1041861-94-2
- Purity/Analytical Methods: >99.0%
1041861-94-2 / 4-(4-aminophenoxy)-1H-pyridin-2-one
4-(4-Aminophenoxy)pyridin-2(1H)-one | 4-(4-aminophenoxy)-1H-pyridin-2-one | MFCD24038953
Basic Information
CAS
1041861-94-2
Multi CAS
Yes
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
SMILES
C1=CC(=CC=C1N)OC2=CC(=O)NC=C2
InChI
InChI=1S/C11H10N2O2/c12-8-1-3-9(4-2-8)15-10-5-6-13-11(14)7-10/h1-7H,12H2,(H,13,14)
InChIKey
DWRNYMHYGWVLRE-UHFFFAOYSA-N
Synonyms
4-(4-Aminophenoxy)pyridin-2(1H)-one
4-(4-aminophenoxy)-1H-pyridin-2-one
MFCD24038953
4-(4-aminophenoxy)-1,2-dihydropyridin-2-one
SCHEMBL29429376
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.99
TPSA
68.11
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
0.8
Consensus LogP
1.36
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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