CAS RN: 13131-02-7
N-PHENYLPYRIDIN-2(1H)-ONE
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.20251125 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13131-02-7
- Purity/Analytical Methods: >99.0%
13131-02-7 / 1-phenylpyridin-2-one
Basic Information
CAS
13131-02-7
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
SMILES
C1=CC=C(C=C1)N2C=CC=CC2=O
InChI
InChI=1S/C11H9NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-9H
InChIKey
HQWNTNFZAGSJAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.04
TPSA
22
LogP / Solubility
WLOGP
1.84
MLOGP
1.61
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.46
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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