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CAS 307324-42-1 2-(Pyridin-2-yl)phthalazin-1(2H)-one molecular structure lightbox
CAS RN: 307324-42-1

2-(Pyridin-2-yl)phthalazin-1(2H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINP889045
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307324-42-1 / 2-pyridin-2-ylphthalazin-1-one

Standard CAS: 307324-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307324-42-1
Multi CAS
No
Molecular Formula
C13H9N3O
Molecular Weight
223.230000
Exact Mass
223.074562
InChI
InChI=1S/C13H9N3O/c17-13-11-6-2-1-5-10(11)9-15-16(13)12-7-3-4-8-14-12/h1-9H
InChIKey
CWNIITGJCZEUQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
65.14
TPSA
47.78

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.7
Consensus LogP
1.68
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.82

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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