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CAS 67213-74-5 2-PYRIDIN-2-YLMETHYL-4H-ISOQUINOLINE-1,3-DIONE molecular structure lightbox
CAS RN: 67213-74-5

2-PYRIDIN-2-YLMETHYL-4H-ISOQUINOLINE-1,3-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67213-74-5
  • Purity/Analytical Methods: >99.0%
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67213-74-5 / 2-(pyridin-2-ylmethyl)-4H-isoquinoline-1,3-dione

Standard CAS: 67213-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67213-74-5
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
InChI
InChI=1S/C15H12N2O2/c18-14-9-11-5-1-2-7-13(11)15(19)17(14)10-12-6-3-4-8-16-12/h1-8H,9-10H2
InChIKey
NODLVRDDVBGXOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.26
TPSA
50.27

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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