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CAS 13131-02-7 N-PHENYLPYRIDIN-2(1H)-ONE molecular structure lightbox
CAS RN: 13131-02-7

N-PHENYLPYRIDIN-2(1H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13131-02-7
  • Purity/Analytical Methods: >99.0%
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13131-02-7 / 1-phenylpyridin-2-one

Standard CAS: 13131-02-7 Multi CAS: No
Basic Information Computed Properties

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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