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CAS 57531-19-8 4-oxo-3-phenyl-phthalazine-1-carboxylic acid molecular structure lightbox
CAS RN: 57531-19-8

4-oxo-3-phenyl-phthalazine-1-carboxylic acid

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250106 100mg Out of stock Inquiry
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  • Product code: starshine_CAS57531-19-8
  • Purity/Analytical Methods: >99.0%
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57531-19-8 / 4-oxo-3-phenylphthalazine-1-carboxylic acid

Standard CAS: 57531-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57531-19-8
Multi CAS
Yes
Molecular Formula
C15H10N2O3
Molecular Weight
266.250000
Exact Mass
266.069142
InChI
InChI=1S/C15H10N2O3/c18-14-12-9-5-4-8-11(12)13(15(19)20)16-17(14)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKey
IDQNQFANWGYNHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.3
TPSA
72.19

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2.4
Consensus LogP
2.11
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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